(3Z,7E)-7-fluoro-5,6,9-trimethylidene-11-(4-pentylcyclohexa-2,4-dien-1-yl)undeca-1,3,7-trien-2-ol

C25H33FO — CID 142281703

IUPAC(3Z,7E)-7-fluoro-5,6,9-trimethylidene-11-(4-pentylcyclohexa-2,4-dien-1-yl)undeca-1,3,7-trien-2-ol
SMILESC=C(O)/C=C\C(=C)C(=C)/C(F)=C\C(=C)CCC1C=CC(CCCCC)=CC1
InChIInChI=1S/C25H33FO/c1-6-7-8-9-23-14-16-24(17-15-23)13-10-19(2)18-25(26)22(5)20(3)11-12-21(4)27/h11-12,14-16,18,24,27H,2-10,13,17H2,1H3/b12-11-,25-18+
InChIKeyYLHNEZOTFFULAH-SXZGQXJRSA-N
MW368.54 g/mol
LogP8.00
Rot. Bonds12

About (3Z,7E)-7-fluoro-5,6,9-trimethylidene-11-(4-pentylcyclohexa-2,4-dien-1-yl)undeca-1,3,7-trien-2-ol

(3Z,7E)-7-fluoro-5,6,9-trimethylidene-11-(4-pentylcyclohexa-2,4-dien-1-yl)undeca-1,3,7-trien-2-ol (PubChem CID 142281703) has the molecular formula C25H33FO and a molecular weight of 368.54 g/mol. Its IUPAC name is (3Z,7E)-7-fluoro-5,6,9-trimethylidene-11-(4-pentylcyclohexa-2,4-dien-1-yl)undeca-1,3,7-trien-2-ol.

Molecular Properties

Compound Name(3Z,7E)-7-fluoro-5,6,9-trimethylidene-11-(4-pentylcyclohexa-2,4-dien-1-yl)undeca-1,3,7-trien-2-ol
PubChem CID142281703
Molecular FormulaC25H33FO
Molecular Weight368.54 g/mol
Exact Mass368.25
IUPAC Name(3Z,7E)-7-fluoro-5,6,9-trimethylidene-11-(4-pentylcyclohexa-2,4-dien-1-yl)undeca-1,3,7-trien-2-ol
SMILESC=C(O)/C=C\C(=C)C(=C)/C(F)=C\C(=C)CCC1C=CC(CCCCC)=CC1
InChIInChI=1S/C25H33FO/c1-6-7-8-9-23-14-16-24(17-15-23)13-10-19(2)18-25(26)22(5)20(3)11-12-21(4)27/h11-12,14-16,18,24,27H,2-10,13,17H2,1H3/b12-11-,25-18+
InChIKeyYLHNEZOTFFULAH-SXZGQXJRSA-N
XLogP8.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.54
LogP ≤ 58.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3Z,7E)-7-fluoro-5,6,9-trimethylidene-11-(4-pentylcyclohexa-2,4-dien-1-yl)undeca-1,3,7-trien-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Eunicol
CID 56951445
(3E,5E)-6-cyclohexyl-2-methylhepta-3,5-dien-2-ol
CID 118715380
(3E,5E)-2-methyl-6-(4-methylcyclohex-3-en-1-yl)hepta-3,5-dien-2-ol
CID 118715382
(3E)-6-[(1S)-4,8-dimethylcyclodeca-3,7-dien-1-yl]-2-methylhepta-3,5-dien-2-ol
CID 162867196
(3E,5E)-6-[(1S,7E)-4,8-dimethylcyclodeca-3,7-dien-1-yl]-2-methylhepta-3,5-dien-2-ol
CID 162867197
4-(2-Fluoropropan-2-yl)-2-methylcyclohexa-1,5-dien-1-ol
CID 138514206
(3Z,7Z)-3,4-difluoro-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7,14-tetraen-2-ol
CID 138534857
(3Z)-3,4-difluoro-6,9-dimethyl-5-methylidenedeca-1,3-dien-2-ol
CID 143777055
(3Z)-3,4-difluoro-6,9,10,13-tetramethyl-5-methylidenetetradeca-1,3-dien-2-ol
CID 143777056
(3Z,7Z)-7,8-difluoro-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-trien-2-ol
CID 143908759
(3E,7Z)-3-fluoro-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-trien-2-ol
CID 144055817
(3Z)-3,4-difluoro-6-methyl-5-methylidenedeca-1,3-dien-2-ol
CID 145079834

Frequently Asked Questions

What is the IUPAC name of (3Z,7E)-7-fluoro-5,6,9-trimethylidene-11-(4-pentylcyclohexa-2,4-dien-1-yl)undeca-1,3,7-trien-2-ol?
The IUPAC name of (3Z,7E)-7-fluoro-5,6,9-trimethylidene-11-(4-pentylcyclohexa-2,4-dien-1-yl)undeca-1,3,7-trien-2-ol (CID 142281703) is (3Z,7E)-7-fluoro-5,6,9-trimethylidene-11-(4-pentylcyclohexa-2,4-dien-1-yl)undeca-1,3,7-trien-2-ol.
What is the SMILES notation for (3Z,7E)-7-fluoro-5,6,9-trimethylidene-11-(4-pentylcyclohexa-2,4-dien-1-yl)undeca-1,3,7-trien-2-ol?
The canonical SMILES for (3Z,7E)-7-fluoro-5,6,9-trimethylidene-11-(4-pentylcyclohexa-2,4-dien-1-yl)undeca-1,3,7-trien-2-ol is C=C(O)/C=C\C(=C)C(=C)/C(F)=C\C(=C)CCC1C=CC(CCCCC)=CC1.
What is the InChIKey of (3Z,7E)-7-fluoro-5,6,9-trimethylidene-11-(4-pentylcyclohexa-2,4-dien-1-yl)undeca-1,3,7-trien-2-ol?
The InChIKey is YLHNEZOTFFULAH-SXZGQXJRSA-N. The full InChI is InChI=1S/C25H33FO/c1-6-7-8-9-23-14-16-24(17-15-23)13-10-19(2)18-25(26)22(5)20(3)11-12-21(4)27/h11-12,14-16,18,24,27H,2-10,13,17H2,1H3/b12-11-,25-18+.
What are the key properties of (3Z,7E)-7-fluoro-5,6,9-trimethylidene-11-(4-pentylcyclohexa-2,4-dien-1-yl)undeca-1,3,7-trien-2-ol?
(3Z,7E)-7-fluoro-5,6,9-trimethylidene-11-(4-pentylcyclohexa-2,4-dien-1-yl)undeca-1,3,7-trien-2-ol has a molecular weight of 368.54 g/mol, XLogP of 8.00, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7E)-7-fluoro-5,6,9-trimethylidene-11-(4-pentylcyclohexa-2,4-dien-1-yl)undeca-1,3,7-trien-2-ol is sourced from PubChem (CID 142281703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).