(6E)-4-[(1E)-2,6-dimethylhepta-1,5-dienyl]-7,11-dimethyldodeca-6,10-dien-2-ol

C23H40O — CID 87169768

IUPAC(6E)-4-[(1E)-2,6-dimethylhepta-1,5-dienyl]-7,11-dimethyldodeca-6,10-dien-2-ol
SMILESCC(C)=CCC/C(C)=C/CC(/C=C(\C)CCC=C(C)C)CC(C)O
InChIInChI=1S/C23H40O/c1-18(2)10-8-12-20(5)14-15-23(17-22(7)24)16-21(6)13-9-11-19(3)4/h10-11,14,16,22-24H,8-9,12-13,15,17H2,1-7H3/b20-14+,21-16+
InChIKeyGDUJRYJRTZCXSU-QUFKBVBHSA-N
MW332.57 g/mol
LogP7.15
Rot. Bonds11

About (6E)-4-[(1E)-2,6-dimethylhepta-1,5-dienyl]-7,11-dimethyldodeca-6,10-dien-2-ol

(6E)-4-[(1E)-2,6-dimethylhepta-1,5-dienyl]-7,11-dimethyldodeca-6,10-dien-2-ol (PubChem CID 87169768) has the molecular formula C23H40O and a molecular weight of 332.57 g/mol. Its IUPAC name is (6E)-4-[(1E)-2,6-dimethylhepta-1,5-dienyl]-7,11-dimethyldodeca-6,10-dien-2-ol.

Molecular Properties

Compound Name(6E)-4-[(1E)-2,6-dimethylhepta-1,5-dienyl]-7,11-dimethyldodeca-6,10-dien-2-ol
PubChem CID87169768
Molecular FormulaC23H40O
Molecular Weight332.57 g/mol
Exact Mass332.31
IUPAC Name(6E)-4-[(1E)-2,6-dimethylhepta-1,5-dienyl]-7,11-dimethyldodeca-6,10-dien-2-ol
SMILESCC(C)=CCC/C(C)=C/CC(/C=C(\C)CCC=C(C)C)CC(C)O
InChIInChI=1S/C23H40O/c1-18(2)10-8-12-20(5)14-15-23(17-22(7)24)16-21(6)13-9-11-19(3)4/h10-11,14,16,22-24H,8-9,12-13,15,17H2,1-7H3/b20-14+,21-16+
InChIKeyGDUJRYJRTZCXSU-QUFKBVBHSA-N
XLogP7.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.57
LogP ≤ 57.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (6E)-4-[(1E)-2,6-dimethylhepta-1,5-dienyl]-7,11-dimethyldodeca-6,10-dien-2-ol with MolForge

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Related Compounds

(14E,18E,22E)-2,6,10,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-12-ol
CID 88794076
3-(2,6-dimethylhepta-1,5-dienyl)-6,10-dimethylundeca-5,9-dienoyl chloride
CID 57090053
(6E,10E,14E)-2,6,10,14,17-pentamethyloctadeca-2,6,10,14-tetraene
CID 140685405
(6E)-8-ethyl-2,6-dimethyldeca-2,6-diene
CID 174724877
(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-triene-1,1-diol
CID 140692996
8-bromo-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 54461369
(4R,5E,9E)-6,10,14-trimethylpentadeca-1,5,9,13-tetraen-4-ol
CID 10890690
(7Z)-8,12-dimethyltrideca-7,11-diene-2,6-diol
CID 170337767
1-[1-(2-hydroxypropoxy)-3,7-dimethylocta-2,6-dienoxy]propan-2-ol
CID 53435769
(5E,9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraene-1,2,3-triol
CID 121434427
2-hydroxy-5,9-dimethyldeca-4,8-dienoic acid
CID 173203738
6,10,14-trimethyl-3-(3,7,11-trimethyldodeca-2,6,10-trienyl)pentadeca-5,9,13-trien-1-ol
CID 54034221

Frequently Asked Questions

What is the IUPAC name of (6E)-4-[(1E)-2,6-dimethylhepta-1,5-dienyl]-7,11-dimethyldodeca-6,10-dien-2-ol?
The IUPAC name of (6E)-4-[(1E)-2,6-dimethylhepta-1,5-dienyl]-7,11-dimethyldodeca-6,10-dien-2-ol (CID 87169768) is (6E)-4-[(1E)-2,6-dimethylhepta-1,5-dienyl]-7,11-dimethyldodeca-6,10-dien-2-ol.
What is the SMILES notation for (6E)-4-[(1E)-2,6-dimethylhepta-1,5-dienyl]-7,11-dimethyldodeca-6,10-dien-2-ol?
The canonical SMILES for (6E)-4-[(1E)-2,6-dimethylhepta-1,5-dienyl]-7,11-dimethyldodeca-6,10-dien-2-ol is CC(C)=CCC/C(C)=C/CC(/C=C(\C)CCC=C(C)C)CC(C)O.
What is the InChIKey of (6E)-4-[(1E)-2,6-dimethylhepta-1,5-dienyl]-7,11-dimethyldodeca-6,10-dien-2-ol?
The InChIKey is GDUJRYJRTZCXSU-QUFKBVBHSA-N. The full InChI is InChI=1S/C23H40O/c1-18(2)10-8-12-20(5)14-15-23(17-22(7)24)16-21(6)13-9-11-19(3)4/h10-11,14,16,22-24H,8-9,12-13,15,17H2,1-7H3/b20-14+,21-16+.
What are the key properties of (6E)-4-[(1E)-2,6-dimethylhepta-1,5-dienyl]-7,11-dimethyldodeca-6,10-dien-2-ol?
(6E)-4-[(1E)-2,6-dimethylhepta-1,5-dienyl]-7,11-dimethyldodeca-6,10-dien-2-ol has a molecular weight of 332.57 g/mol, XLogP of 7.15, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-4-[(1E)-2,6-dimethylhepta-1,5-dienyl]-7,11-dimethyldodeca-6,10-dien-2-ol is sourced from PubChem (CID 87169768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).