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114467-52-6 | 2-Buten-1-ol, 4-[4-(1,1-dimethylethyl)-1-cyclohexen-1-yl]-2-methyl-, (2E)-
CAS No: 114467-52-6 Catalog No: AG000EGN MDL No:
Product Description
Catalog Number:
AG000EGN
Chemical Name:
2-Buten-1-ol, 4-[4-(1,1-dimethylethyl)-1-cyclohexen-1-yl]-2-methyl-, (2E)-
CAS Number:
114467-52-6
Molecular Formula:
C15H26O
Molecular Weight:
222.3663
IUPAC Name:
4-(4-tert-butylcyclohexen-1-yl)-2-methylbut-2-en-1-ol
InChI:
InChI=1S/C15H26O/c1-12(11-16)5-6-13-7-9-14(10-8-13)15(2,3)4/h5,7,14,16H,6,8-11H2,1-4H3
InChI Key:
KPPVKYWTCKJADX-UHFFFAOYSA-N
SMILES:
OC/C(=C/CC1=CCC(CC1)C(C)(C)C)/C
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.198g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.372g/mol
Monoisotopic Mass:
222.198g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
4.1
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