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164203-46-7 | 2-Buten-1-ol, 2-ethyl-4-[(1R)-2,2,3-trimethyl-3-cyclopenten-1-yl]-, (2E)-
CAS No: 164203-46-7 Catalog No: AG001UPG MDL No:
Product Description
Catalog Number:
AG001UPG
Chemical Name:
2-Buten-1-ol, 2-ethyl-4-[(1R)-2,2,3-trimethyl-3-cyclopenten-1-yl]-, (2E)-
CAS Number:
164203-46-7
Molecular Formula:
C14H24O
Molecular Weight:
208.3398
IUPAC Name:
2-ethyl-4-[(1R)-2,2,3-trimethylcyclopent-3-en-1-yl]but-2-en-1-ol
InChI:
InChI=1S/C14H24O/c1-5-12(10-15)7-9-13-8-6-11(2)14(13,3)4/h6-7,13,15H,5,8-10H2,1-4H3/t13-/m1/s1
InChI Key:
KHQDWCKZXLWDNM-CYBMUJFWSA-N
SMILES:
CC/C(=C\C[C@H]1CC=C(C1(C)C)C)/CO
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
208.183g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.345g/mol
Monoisotopic Mass:
208.183g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.6
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