(3Z,4R)-3-benzylidene-2-methyloctan-4-ol

C16H24O — CID 177483438

IUPAC(3Z,4R)-3-benzylidene-2-methyloctan-4-ol
SMILESCCCC[C@@H](O)/C(=C\c1ccccc1)C(C)C
InChIInChI=1S/C16H24O/c1-4-5-11-16(17)15(13(2)3)12-14-9-7-6-8-10-14/h6-10,12-13,16-17H,4-5,11H2,1-3H3/b15-12-/t16-/m1/s1
InChIKeySZPNKDBMMPPYIE-RTYFKUQISA-N
MW232.37 g/mol
LogP4.28
Rot. Bonds6

About (3Z,4R)-3-benzylidene-2-methyloctan-4-ol

(3Z,4R)-3-benzylidene-2-methyloctan-4-ol (PubChem CID 177483438) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is (3Z,4R)-3-benzylidene-2-methyloctan-4-ol.

Molecular Properties

Compound Name(3Z,4R)-3-benzylidene-2-methyloctan-4-ol
PubChem CID177483438
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name(3Z,4R)-3-benzylidene-2-methyloctan-4-ol
SMILESCCCC[C@@H](O)/C(=C\c1ccccc1)C(C)C
InChIInChI=1S/C16H24O/c1-4-5-11-16(17)15(13(2)3)12-14-9-7-6-8-10-14/h6-10,12-13,16-17H,4-5,11H2,1-3H3/b15-12-/t16-/m1/s1
InChIKeySZPNKDBMMPPYIE-RTYFKUQISA-N
XLogP4.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 11219174
[(E)-3-methylhept-1-enyl]benzene
CID 12949923
(1S)-1-phenylpentan-1-ol
CID 6992754
(4E)-4-benzylidenedec-1-en-3-ol
CID 15013196
(3E)-1-phenyl-3-(trimethylsilylmethylidene)octane-1,4-diol
CID 135020768
(3-benzylidene-4-phenylpentan-2-yl)benzene
CID 10781434
benzene;hexan-2-ol
CID 174579547
(2R)-2-phenylheptan-3-ol
CID 91322845
(Z)-1-(butylamino)-2-phenylethenol
CID 134892949
[(E)-1-phenylhex-1-en-2-yl]benzene
CID 11791205

Frequently Asked Questions

What is the IUPAC name of (3Z,4R)-3-benzylidene-2-methyloctan-4-ol?
The IUPAC name of (3Z,4R)-3-benzylidene-2-methyloctan-4-ol (CID 177483438) is (3Z,4R)-3-benzylidene-2-methyloctan-4-ol.
What is the SMILES notation for (3Z,4R)-3-benzylidene-2-methyloctan-4-ol?
The canonical SMILES for (3Z,4R)-3-benzylidene-2-methyloctan-4-ol is CCCC[C@@H](O)/C(=C\c1ccccc1)C(C)C.
What is the InChIKey of (3Z,4R)-3-benzylidene-2-methyloctan-4-ol?
The InChIKey is SZPNKDBMMPPYIE-RTYFKUQISA-N. The full InChI is InChI=1S/C16H24O/c1-4-5-11-16(17)15(13(2)3)12-14-9-7-6-8-10-14/h6-10,12-13,16-17H,4-5,11H2,1-3H3/b15-12-/t16-/m1/s1.
What are the key properties of (3Z,4R)-3-benzylidene-2-methyloctan-4-ol?
(3Z,4R)-3-benzylidene-2-methyloctan-4-ol has a molecular weight of 232.37 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,4R)-3-benzylidene-2-methyloctan-4-ol is sourced from PubChem (CID 177483438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).