(5E)-6,10-dimethyl-1-phenylundeca-5,9-dien-4-ol

C19H28O — CID 71663930

IUPAC(5E)-6,10-dimethyl-1-phenylundeca-5,9-dien-4-ol
SMILESCC(C)=CCC/C(C)=C/C(O)CCCc1ccccc1
InChIInChI=1S/C19H28O/c1-16(2)9-7-10-17(3)15-19(20)14-8-13-18-11-5-4-6-12-18/h4-6,9,11-12,15,19-20H,7-8,10,13-14H2,1-3H3/b17-15+
InChIKeyHYCGKRGLCVRBJP-BMRADRMJSA-N
MW272.43 g/mol
LogP5.06
Rot. Bonds8

About (5E)-6,10-dimethyl-1-phenylundeca-5,9-dien-4-ol

(5E)-6,10-dimethyl-1-phenylundeca-5,9-dien-4-ol (PubChem CID 71663930) has the molecular formula C19H28O and a molecular weight of 272.43 g/mol. Its IUPAC name is (5E)-6,10-dimethyl-1-phenylundeca-5,9-dien-4-ol.

Molecular Properties

Compound Name(5E)-6,10-dimethyl-1-phenylundeca-5,9-dien-4-ol
PubChem CID71663930
Molecular FormulaC19H28O
Molecular Weight272.43 g/mol
Exact Mass272.21
IUPAC Name(5E)-6,10-dimethyl-1-phenylundeca-5,9-dien-4-ol
SMILESCC(C)=CCC/C(C)=C/C(O)CCCc1ccccc1
InChIInChI=1S/C19H28O/c1-16(2)9-7-10-17(3)15-19(20)14-8-13-18-11-5-4-6-12-18/h4-6,9,11-12,15,19-20H,7-8,10,13-14H2,1-3H3/b17-15+
InChIKeyHYCGKRGLCVRBJP-BMRADRMJSA-N
XLogP5.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.43
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(E)-6-bromo-5-methyl-1-phenylhex-4-en-3-ol
CID 11701728
[(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]oxymethylbenzene
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[(2E)-3,7-dimethyl-1-phenoxyocta-2,6-dienoxy]benzene
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(3-methyl-6-phenylhex-3-enyl)benzene
CID 175487597
(3Z)-4,8-dimethyl-1-phenylnona-3,7-dien-1-ol
CID 14027932
[(E)-4,5-dimethylhex-3-enyl]benzene
CID 14959713
(3R)-2,5-dimethyl-7-phenylhept-4-en-3-ol
CID 71428200
(E,3R)-1,5-diphenylhex-4-en-3-ol
CID 15635013
4-methyl-7-phenylhept-4-en-1-ol
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6,10-dimethyl-11-phenylundeca-5,9-dien-2-ol
CID 123873532

Frequently Asked Questions

What is the IUPAC name of (5E)-6,10-dimethyl-1-phenylundeca-5,9-dien-4-ol?
The IUPAC name of (5E)-6,10-dimethyl-1-phenylundeca-5,9-dien-4-ol (CID 71663930) is (5E)-6,10-dimethyl-1-phenylundeca-5,9-dien-4-ol.
What is the SMILES notation for (5E)-6,10-dimethyl-1-phenylundeca-5,9-dien-4-ol?
The canonical SMILES for (5E)-6,10-dimethyl-1-phenylundeca-5,9-dien-4-ol is CC(C)=CCC/C(C)=C/C(O)CCCc1ccccc1.
What is the InChIKey of (5E)-6,10-dimethyl-1-phenylundeca-5,9-dien-4-ol?
The InChIKey is HYCGKRGLCVRBJP-BMRADRMJSA-N. The full InChI is InChI=1S/C19H28O/c1-16(2)9-7-10-17(3)15-19(20)14-8-13-18-11-5-4-6-12-18/h4-6,9,11-12,15,19-20H,7-8,10,13-14H2,1-3H3/b17-15+.
What are the key properties of (5E)-6,10-dimethyl-1-phenylundeca-5,9-dien-4-ol?
(5E)-6,10-dimethyl-1-phenylundeca-5,9-dien-4-ol has a molecular weight of 272.43 g/mol, XLogP of 5.06, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-6,10-dimethyl-1-phenylundeca-5,9-dien-4-ol is sourced from PubChem (CID 71663930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).