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132621-51-3 | 4-Penten-1-ol, 2-(1,1-dimethylethyl)-
CAS No: 132621-51-3 Catalog No: AG0010X1 MDL No:
Product Description
Catalog Number:
AG0010X1
Chemical Name:
4-Penten-1-ol, 2-(1,1-dimethylethyl)-
CAS Number:
132621-51-3
Molecular Formula:
C9H18O
Molecular Weight:
142.2386
IUPAC Name:
2-tert-butylpent-4-en-1-ol
InChI:
InChI=1S/C9H18O/c1-5-6-8(7-10)9(2,3)4/h5,8,10H,1,6-7H2,2-4H3
InChI Key:
HPOKASWPBXFMEK-UHFFFAOYSA-N
SMILES:
OCC(C(C)(C)C)CC=C
Properties
Complexity:
99.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.136g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
142.242g/mol
Monoisotopic Mass:
142.136g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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