(3Z,5E,6Z,7E)-9-cyclohexyl-5,6-di(ethylidene)-7-fluoronona-1,3,7-trien-2-ol

C19H27FO — CID 145022697

IUPAC(3Z,5E,6Z,7E)-9-cyclohexyl-5,6-di(ethylidene)-7-fluoronona-1,3,7-trien-2-ol
SMILESC=C(O)/C=C\C(=C/C)C(=C\C)\C(F)=C/CC1CCCCC1
InChIInChI=1S/C19H27FO/c1-4-17(13-11-15(3)21)18(5-2)19(20)14-12-16-9-7-6-8-10-16/h4-5,11,13-14,16,21H,3,6-10,12H2,1-2H3/b13-11-,17-4+,18-5-,19-14+
InChIKeyNJPJQVJHWIGBLR-GJJKTZPASA-N
MW290.42 g/mol
LogP6.33
Rot. Bonds6

About (3Z,5E,6Z,7E)-9-cyclohexyl-5,6-di(ethylidene)-7-fluoronona-1,3,7-trien-2-ol

(3Z,5E,6Z,7E)-9-cyclohexyl-5,6-di(ethylidene)-7-fluoronona-1,3,7-trien-2-ol (PubChem CID 145022697) has the molecular formula C19H27FO and a molecular weight of 290.42 g/mol. Its IUPAC name is (3Z,5E,6Z,7E)-9-cyclohexyl-5,6-di(ethylidene)-7-fluoronona-1,3,7-trien-2-ol.

Molecular Properties

Compound Name(3Z,5E,6Z,7E)-9-cyclohexyl-5,6-di(ethylidene)-7-fluoronona-1,3,7-trien-2-ol
PubChem CID145022697
Molecular FormulaC19H27FO
Molecular Weight290.42 g/mol
Exact Mass290.20
IUPAC Name(3Z,5E,6Z,7E)-9-cyclohexyl-5,6-di(ethylidene)-7-fluoronona-1,3,7-trien-2-ol
SMILESC=C(O)/C=C\C(=C/C)C(=C\C)\C(F)=C/CC1CCCCC1
InChIInChI=1S/C19H27FO/c1-4-17(13-11-15(3)21)18(5-2)19(20)14-12-16-9-7-6-8-10-16/h4-5,11,13-14,16,21H,3,6-10,12H2,1-2H3/b13-11-,17-4+,18-5-,19-14+
InChIKeyNJPJQVJHWIGBLR-GJJKTZPASA-N
XLogP6.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.42
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3Z,5E,6Z,7E)-9-cyclohexyl-5,6-di(ethylidene)-7-fluoronona-1,3,7-trien-2-ol with MolForge

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Launch Full Analysis

Related Compounds

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CID 163019567
(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,5E)-10,10,10-trifluoro-8-methyl-6-(3-methylbutyl)deca-1,3,5-trien-3-ol
CID 132002216
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
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(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
(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-6,9-dimethyl-5-methylideneundeca-1,3-dien-2-ol
CID 144733838
(3Z)-3,4-difluoro-6-methyl-5-methylidenedeca-1,3-dien-2-ol
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Frequently Asked Questions

What is the IUPAC name of (3Z,5E,6Z,7E)-9-cyclohexyl-5,6-di(ethylidene)-7-fluoronona-1,3,7-trien-2-ol?
The IUPAC name of (3Z,5E,6Z,7E)-9-cyclohexyl-5,6-di(ethylidene)-7-fluoronona-1,3,7-trien-2-ol (CID 145022697) is (3Z,5E,6Z,7E)-9-cyclohexyl-5,6-di(ethylidene)-7-fluoronona-1,3,7-trien-2-ol.
What is the SMILES notation for (3Z,5E,6Z,7E)-9-cyclohexyl-5,6-di(ethylidene)-7-fluoronona-1,3,7-trien-2-ol?
The canonical SMILES for (3Z,5E,6Z,7E)-9-cyclohexyl-5,6-di(ethylidene)-7-fluoronona-1,3,7-trien-2-ol is C=C(O)/C=C\C(=C/C)C(=C\C)\C(F)=C/CC1CCCCC1.
What is the InChIKey of (3Z,5E,6Z,7E)-9-cyclohexyl-5,6-di(ethylidene)-7-fluoronona-1,3,7-trien-2-ol?
The InChIKey is NJPJQVJHWIGBLR-GJJKTZPASA-N. The full InChI is InChI=1S/C19H27FO/c1-4-17(13-11-15(3)21)18(5-2)19(20)14-12-16-9-7-6-8-10-16/h4-5,11,13-14,16,21H,3,6-10,12H2,1-2H3/b13-11-,17-4+,18-5-,19-14+.
What are the key properties of (3Z,5E,6Z,7E)-9-cyclohexyl-5,6-di(ethylidene)-7-fluoronona-1,3,7-trien-2-ol?
(3Z,5E,6Z,7E)-9-cyclohexyl-5,6-di(ethylidene)-7-fluoronona-1,3,7-trien-2-ol has a molecular weight of 290.42 g/mol, XLogP of 6.33, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E,6Z,7E)-9-cyclohexyl-5,6-di(ethylidene)-7-fluoronona-1,3,7-trien-2-ol is sourced from PubChem (CID 145022697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).