(E,4Z)-4-benzylidene-2-methyldec-2-en-1-ol

C18H26O — CID 135262709

IUPAC(E,4Z)-4-benzylidene-2-methyldec-2-en-1-ol
SMILESCCCCCCC(=C/c1ccccc1)/C=C(\C)CO
InChIInChI=1S/C18H26O/c1-3-4-5-7-12-18(13-16(2)15-19)14-17-10-8-6-9-11-17/h6,8-11,13-14,19H,3-5,7,12,15H2,1-2H3/b16-13+,18-14-
InChIKeySPTCMMYFVQWYBQ-UEUHXYKBSA-N
MW258.40 g/mol
LogP4.98
Rot. Bonds8

About (E,4Z)-4-benzylidene-2-methyldec-2-en-1-ol

(E,4Z)-4-benzylidene-2-methyldec-2-en-1-ol (PubChem CID 135262709) has the molecular formula C18H26O and a molecular weight of 258.40 g/mol. Its IUPAC name is (E,4Z)-4-benzylidene-2-methyldec-2-en-1-ol.

Molecular Properties

Compound Name(E,4Z)-4-benzylidene-2-methyldec-2-en-1-ol
PubChem CID135262709
Molecular FormulaC18H26O
Molecular Weight258.40 g/mol
Exact Mass258.20
IUPAC Name(E,4Z)-4-benzylidene-2-methyldec-2-en-1-ol
SMILESCCCCCCC(=C/c1ccccc1)/C=C(\C)CO
InChIInChI=1S/C18H26O/c1-3-4-5-7-12-18(13-16(2)15-19)14-17-10-8-6-9-11-17/h6,8-11,13-14,19H,3-5,7,12,15H2,1-2H3/b16-13+,18-14-
InChIKeySPTCMMYFVQWYBQ-UEUHXYKBSA-N
XLogP4.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

methyl (E,4E)-4-benzylidene-2-methoxynon-2-enoate
CID 139785086
(E)-2-methyl-1-phenylnon-1-en-3-one
CID 102243478
(NZ)-N-[(2E)-2-benzylideneheptylidene]hydroxylamine
CID 5356023
(2E)-2-benzylideneoctanal;3-hydroxybutan-2-one
CID 174895321
(2E)-2-benzylideneheptanoic acid
CID 14318164
[(Z)-2-chlorooct-1-enyl]benzene
CID 15271116
2-benzylideneicosanamide
CID 167436455
potassium (2E)-2-benzylideneoctan-1-one
CID 162387129
[(E)-2-fluorohept-1-enyl]benzene
CID 20721098
propane;[(E)-2-prop-1-en-2-ylhept-1-enyl]benzene
CID 143966502
2-(chloromethyl)oct-1-enylbenzene
CID 69226716
2-methylidenehenicosanoic acid;2-methyl-3-phenylprop-2-enoic acid
CID 70268950

Frequently Asked Questions

What is the IUPAC name of (E,4Z)-4-benzylidene-2-methyldec-2-en-1-ol?
The IUPAC name of (E,4Z)-4-benzylidene-2-methyldec-2-en-1-ol (CID 135262709) is (E,4Z)-4-benzylidene-2-methyldec-2-en-1-ol.
What is the SMILES notation for (E,4Z)-4-benzylidene-2-methyldec-2-en-1-ol?
The canonical SMILES for (E,4Z)-4-benzylidene-2-methyldec-2-en-1-ol is CCCCCCC(=C/c1ccccc1)/C=C(\C)CO.
What is the InChIKey of (E,4Z)-4-benzylidene-2-methyldec-2-en-1-ol?
The InChIKey is SPTCMMYFVQWYBQ-UEUHXYKBSA-N. The full InChI is InChI=1S/C18H26O/c1-3-4-5-7-12-18(13-16(2)15-19)14-17-10-8-6-9-11-17/h6,8-11,13-14,19H,3-5,7,12,15H2,1-2H3/b16-13+,18-14-.
What are the key properties of (E,4Z)-4-benzylidene-2-methyldec-2-en-1-ol?
(E,4Z)-4-benzylidene-2-methyldec-2-en-1-ol has a molecular weight of 258.40 g/mol, XLogP of 4.98, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4Z)-4-benzylidene-2-methyldec-2-en-1-ol is sourced from PubChem (CID 135262709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).