(4E)-4-benzylidenedec-1-en-3-ol

C17H24O — CID 15013196

IUPAC(4E)-4-benzylidenedec-1-en-3-ol
SMILESC=CC(O)/C(=C/c1ccccc1)CCCCCC
InChIInChI=1S/C17H24O/c1-3-5-6-10-13-16(17(18)4-2)14-15-11-8-7-9-12-15/h4,7-9,11-12,14,17-18H,2-3,5-6,10,13H2,1H3/b16-14+
InChIKeyQSSLJXBHRHPUET-JQIJEIRASA-N
MW244.38 g/mol
LogP4.59
Rot. Bonds8

About (4E)-4-benzylidenedec-1-en-3-ol

(4E)-4-benzylidenedec-1-en-3-ol (PubChem CID 15013196) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is (4E)-4-benzylidenedec-1-en-3-ol.

Molecular Properties

Compound Name(4E)-4-benzylidenedec-1-en-3-ol
PubChem CID15013196
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name(4E)-4-benzylidenedec-1-en-3-ol
SMILESC=CC(O)/C(=C/c1ccccc1)CCCCCC
InChIInChI=1S/C17H24O/c1-3-5-6-10-13-16(17(18)4-2)14-15-11-8-7-9-12-15/h4,7-9,11-12,14,17-18H,2-3,5-6,10,13H2,1H3/b16-14+
InChIKeyQSSLJXBHRHPUET-JQIJEIRASA-N
XLogP4.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (4E)-4-benzylidenedec-1-en-3-ol?
The IUPAC name of (4E)-4-benzylidenedec-1-en-3-ol (CID 15013196) is (4E)-4-benzylidenedec-1-en-3-ol.
What is the SMILES notation for (4E)-4-benzylidenedec-1-en-3-ol?
The canonical SMILES for (4E)-4-benzylidenedec-1-en-3-ol is C=CC(O)/C(=C/c1ccccc1)CCCCCC.
What is the InChIKey of (4E)-4-benzylidenedec-1-en-3-ol?
The InChIKey is QSSLJXBHRHPUET-JQIJEIRASA-N. The full InChI is InChI=1S/C17H24O/c1-3-5-6-10-13-16(17(18)4-2)14-15-11-8-7-9-12-15/h4,7-9,11-12,14,17-18H,2-3,5-6,10,13H2,1H3/b16-14+.
What are the key properties of (4E)-4-benzylidenedec-1-en-3-ol?
(4E)-4-benzylidenedec-1-en-3-ol has a molecular weight of 244.38 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-benzylidenedec-1-en-3-ol is sourced from PubChem (CID 15013196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).