(8E)-9,13-dimethyl-4,6-diphenyltetradeca-8,12-dien-1-ol

C28H38O — CID 153444054

IUPAC(8E)-9,13-dimethyl-4,6-diphenyltetradeca-8,12-dien-1-ol
SMILESCC(C)=CCC/C(C)=C/CC(CC(CCCO)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H38O/c1-23(2)12-10-13-24(3)19-20-28(26-16-8-5-9-17-26)22-27(18-11-21-29)25-14-6-4-7-15-25/h4-9,12,14-17,19,27-29H,10-11,13,18,20-22H2,1-3H3/b24-19+
InChIKeyIWXHXOSYQFDPLX-LYBHJNIJSA-N
MW390.61 g/mol
LogP7.80
Rot. Bonds12

About (8E)-9,13-dimethyl-4,6-diphenyltetradeca-8,12-dien-1-ol

(8E)-9,13-dimethyl-4,6-diphenyltetradeca-8,12-dien-1-ol (PubChem CID 153444054) has the molecular formula C28H38O and a molecular weight of 390.61 g/mol. Its IUPAC name is (8E)-9,13-dimethyl-4,6-diphenyltetradeca-8,12-dien-1-ol.

Molecular Properties

Compound Name(8E)-9,13-dimethyl-4,6-diphenyltetradeca-8,12-dien-1-ol
PubChem CID153444054
Molecular FormulaC28H38O
Molecular Weight390.61 g/mol
Exact Mass390.29
IUPAC Name(8E)-9,13-dimethyl-4,6-diphenyltetradeca-8,12-dien-1-ol
SMILESCC(C)=CCC/C(C)=C/CC(CC(CCCO)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H38O/c1-23(2)12-10-13-24(3)19-20-28(26-16-8-5-9-17-26)22-27(18-11-21-29)25-14-6-4-7-15-25/h4-9,12,14-17,19,27-29H,10-11,13,18,20-22H2,1-3H3/b24-19+
InChIKeyIWXHXOSYQFDPLX-LYBHJNIJSA-N
XLogP7.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.61
LogP ≤ 57.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (8E)-9,13-dimethyl-4,6-diphenyltetradeca-8,12-dien-1-ol with MolForge

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Related Compounds

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CID 14027932
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CID 159524764
6,10,14-trimethyl-3-(3,7,11-trimethyldodeca-2,6,10-trienyl)pentadeca-5,9,13-trien-1-ol
CID 54034221
4-(5,9-dimethyl-2-phenyldeca-4,8-dienoyl)oxy-2,4-diphenylbutanoic acid
CID 57137592
tert-butyl-dimethyl-(10-methyl-5,7-diphenylundec-9-enoxy)silane
CID 153444046
(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol
CID 5362831
2-(1-hydroxy-6,10-dimethylundeca-5,9-dien-4-yl)isoindole-1,3-dione
CID 77170614
ethane;[(6E,10E)-7,11,15-trimethylhexadeca-3,6,10,14-tetraen-2-yl]benzene
CID 158695222
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-1-phenylbutane-1,3-dione
CID 10063286
methyl (2R)-2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]-2-phenylacetate
CID 45114266
[(2E)-3,7-dimethylocta-2,6-dienyl]-diphenyl-sulfanylidene-λ5-phosphane
CID 101370952
[(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]oxymethylbenzene
CID 70359002

Frequently Asked Questions

What is the IUPAC name of (8E)-9,13-dimethyl-4,6-diphenyltetradeca-8,12-dien-1-ol?
The IUPAC name of (8E)-9,13-dimethyl-4,6-diphenyltetradeca-8,12-dien-1-ol (CID 153444054) is (8E)-9,13-dimethyl-4,6-diphenyltetradeca-8,12-dien-1-ol.
What is the SMILES notation for (8E)-9,13-dimethyl-4,6-diphenyltetradeca-8,12-dien-1-ol?
The canonical SMILES for (8E)-9,13-dimethyl-4,6-diphenyltetradeca-8,12-dien-1-ol is CC(C)=CCC/C(C)=C/CC(CC(CCCO)c1ccccc1)c1ccccc1.
What is the InChIKey of (8E)-9,13-dimethyl-4,6-diphenyltetradeca-8,12-dien-1-ol?
The InChIKey is IWXHXOSYQFDPLX-LYBHJNIJSA-N. The full InChI is InChI=1S/C28H38O/c1-23(2)12-10-13-24(3)19-20-28(26-16-8-5-9-17-26)22-27(18-11-21-29)25-14-6-4-7-15-25/h4-9,12,14-17,19,27-29H,10-11,13,18,20-22H2,1-3H3/b24-19+.
What are the key properties of (8E)-9,13-dimethyl-4,6-diphenyltetradeca-8,12-dien-1-ol?
(8E)-9,13-dimethyl-4,6-diphenyltetradeca-8,12-dien-1-ol has a molecular weight of 390.61 g/mol, XLogP of 7.80, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8E)-9,13-dimethyl-4,6-diphenyltetradeca-8,12-dien-1-ol is sourced from PubChem (CID 153444054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).