(3Z)-4-ethenyl-8-(3-ethylphenyl)-6-methylideneocta-1,3-dien-2-ol

C19H24O — CID 145499398

IUPAC(3Z)-4-ethenyl-8-(3-ethylphenyl)-6-methylideneocta-1,3-dien-2-ol
SMILESC=C/C(=C\C(=C)O)CC(=C)CCc1cccc(CC)c1
InChIInChI=1S/C19H24O/c1-5-17-8-7-9-19(14-17)11-10-15(3)12-18(6-2)13-16(4)20/h6-9,13-14,20H,2-5,10-12H2,1H3/b18-13+
InChIKeyGBVHBSUJXYKAGX-QGOAFFKASA-N
MW268.40 g/mol
LogP5.31
Rot. Bonds8

About (3Z)-4-ethenyl-8-(3-ethylphenyl)-6-methylideneocta-1,3-dien-2-ol

(3Z)-4-ethenyl-8-(3-ethylphenyl)-6-methylideneocta-1,3-dien-2-ol (PubChem CID 145499398) has the molecular formula C19H24O and a molecular weight of 268.40 g/mol. Its IUPAC name is (3Z)-4-ethenyl-8-(3-ethylphenyl)-6-methylideneocta-1,3-dien-2-ol.

Molecular Properties

Compound Name(3Z)-4-ethenyl-8-(3-ethylphenyl)-6-methylideneocta-1,3-dien-2-ol
PubChem CID145499398
Molecular FormulaC19H24O
Molecular Weight268.40 g/mol
Exact Mass268.18
IUPAC Name(3Z)-4-ethenyl-8-(3-ethylphenyl)-6-methylideneocta-1,3-dien-2-ol
SMILESC=C/C(=C\C(=C)O)CC(=C)CCc1cccc(CC)c1
InChIInChI=1S/C19H24O/c1-5-17-8-7-9-19(14-17)11-10-15(3)12-18(6-2)13-16(4)20/h6-9,13-14,20H,2-5,10-12H2,1H3/b18-13+
InChIKeyGBVHBSUJXYKAGX-QGOAFFKASA-N
XLogP5.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.40
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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N-[(3-ethylphenyl)methyl]ethanamine
CID 79003665
ethane;ethylbenzene;(3Z)-3-ethylhexa-1,3,5-triene
CID 171543969
1-buta-1,3-dien-2-yl-3-propylbenzene
CID 140596687
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Frequently Asked Questions

What is the IUPAC name of (3Z)-4-ethenyl-8-(3-ethylphenyl)-6-methylideneocta-1,3-dien-2-ol?
The IUPAC name of (3Z)-4-ethenyl-8-(3-ethylphenyl)-6-methylideneocta-1,3-dien-2-ol (CID 145499398) is (3Z)-4-ethenyl-8-(3-ethylphenyl)-6-methylideneocta-1,3-dien-2-ol.
What is the SMILES notation for (3Z)-4-ethenyl-8-(3-ethylphenyl)-6-methylideneocta-1,3-dien-2-ol?
The canonical SMILES for (3Z)-4-ethenyl-8-(3-ethylphenyl)-6-methylideneocta-1,3-dien-2-ol is C=C/C(=C\C(=C)O)CC(=C)CCc1cccc(CC)c1.
What is the InChIKey of (3Z)-4-ethenyl-8-(3-ethylphenyl)-6-methylideneocta-1,3-dien-2-ol?
The InChIKey is GBVHBSUJXYKAGX-QGOAFFKASA-N. The full InChI is InChI=1S/C19H24O/c1-5-17-8-7-9-19(14-17)11-10-15(3)12-18(6-2)13-16(4)20/h6-9,13-14,20H,2-5,10-12H2,1H3/b18-13+.
What are the key properties of (3Z)-4-ethenyl-8-(3-ethylphenyl)-6-methylideneocta-1,3-dien-2-ol?
(3Z)-4-ethenyl-8-(3-ethylphenyl)-6-methylideneocta-1,3-dien-2-ol has a molecular weight of 268.40 g/mol, XLogP of 5.31, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-ethenyl-8-(3-ethylphenyl)-6-methylideneocta-1,3-dien-2-ol is sourced from PubChem (CID 145499398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).