(2E)-2-benzylidene-3-hexylcyclohex-3-en-1-ol

C19H26O — CID 11369258

IUPAC(2E)-2-benzylidene-3-hexylcyclohex-3-en-1-ol
SMILESCCCCCCC1=CCCC(O)/C1=C/c1ccccc1
InChIInChI=1S/C19H26O/c1-2-3-4-8-12-17-13-9-14-19(20)18(17)15-16-10-6-5-7-11-16/h5-7,10-11,13,15,19-20H,2-4,8-9,12,14H2,1H3/b18-15+
InChIKeyQNGQTRQJGQEJHJ-OBGWFSINSA-N
MW270.42 g/mol
LogP5.12
Rot. Bonds6

About (2E)-2-benzylidene-3-hexylcyclohex-3-en-1-ol

(2E)-2-benzylidene-3-hexylcyclohex-3-en-1-ol (PubChem CID 11369258) has the molecular formula C19H26O and a molecular weight of 270.42 g/mol. Its IUPAC name is (2E)-2-benzylidene-3-hexylcyclohex-3-en-1-ol.

Molecular Properties

Compound Name(2E)-2-benzylidene-3-hexylcyclohex-3-en-1-ol
PubChem CID11369258
Molecular FormulaC19H26O
Molecular Weight270.42 g/mol
Exact Mass270.20
IUPAC Name(2E)-2-benzylidene-3-hexylcyclohex-3-en-1-ol
SMILESCCCCCCC1=CCCC(O)/C1=C/c1ccccc1
InChIInChI=1S/C19H26O/c1-2-3-4-8-12-17-13-9-14-19(20)18(17)15-16-10-6-5-7-11-16/h5-7,10-11,13,15,19-20H,2-4,8-9,12,14H2,1H3/b18-15+
InChIKeyQNGQTRQJGQEJHJ-OBGWFSINSA-N
XLogP5.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.42
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-benzylidene-3-hexylcyclohex-3-en-1-ol?
The IUPAC name of (2E)-2-benzylidene-3-hexylcyclohex-3-en-1-ol (CID 11369258) is (2E)-2-benzylidene-3-hexylcyclohex-3-en-1-ol.
What is the SMILES notation for (2E)-2-benzylidene-3-hexylcyclohex-3-en-1-ol?
The canonical SMILES for (2E)-2-benzylidene-3-hexylcyclohex-3-en-1-ol is CCCCCCC1=CCCC(O)/C1=C/c1ccccc1.
What is the InChIKey of (2E)-2-benzylidene-3-hexylcyclohex-3-en-1-ol?
The InChIKey is QNGQTRQJGQEJHJ-OBGWFSINSA-N. The full InChI is InChI=1S/C19H26O/c1-2-3-4-8-12-17-13-9-14-19(20)18(17)15-16-10-6-5-7-11-16/h5-7,10-11,13,15,19-20H,2-4,8-9,12,14H2,1H3/b18-15+.
What are the key properties of (2E)-2-benzylidene-3-hexylcyclohex-3-en-1-ol?
(2E)-2-benzylidene-3-hexylcyclohex-3-en-1-ol has a molecular weight of 270.42 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-benzylidene-3-hexylcyclohex-3-en-1-ol is sourced from PubChem (CID 11369258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).