(1Z,3Z,5Z)-5-[(4-cyclohexylcyclohexyl)methoxy]-1,6-difluorohexa-1,3,5-trien-2-ol

C19H28F2O2 — CID 126626706

IUPAC(1Z,3Z,5Z)-5-[(4-cyclohexylcyclohexyl)methoxy]-1,6-difluorohexa-1,3,5-trien-2-ol
SMILESOC(/C=C\C(=C\F)OCC1CCC(C2CCCCC2)CC1)=C\F
InChIInChI=1S/C19H28F2O2/c20-12-18(22)10-11-19(13-21)23-14-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h10-13,15-17,22H,1-9,14H2/b11-10-,18-12-,19-13-
InChIKeyHGKMTLKLDRGTMQ-YFFVYVIFSA-N
MW326.43 g/mol
LogP6.13
Rot. Bonds6

About (1Z,3Z,5Z)-5-[(4-cyclohexylcyclohexyl)methoxy]-1,6-difluorohexa-1,3,5-trien-2-ol

(1Z,3Z,5Z)-5-[(4-cyclohexylcyclohexyl)methoxy]-1,6-difluorohexa-1,3,5-trien-2-ol (PubChem CID 126626706) has the molecular formula C19H28F2O2 and a molecular weight of 326.43 g/mol. Its IUPAC name is (1Z,3Z,5Z)-5-[(4-cyclohexylcyclohexyl)methoxy]-1,6-difluorohexa-1,3,5-trien-2-ol.

Molecular Properties

Compound Name(1Z,3Z,5Z)-5-[(4-cyclohexylcyclohexyl)methoxy]-1,6-difluorohexa-1,3,5-trien-2-ol
PubChem CID126626706
Molecular FormulaC19H28F2O2
Molecular Weight326.43 g/mol
Exact Mass326.21
IUPAC Name(1Z,3Z,5Z)-5-[(4-cyclohexylcyclohexyl)methoxy]-1,6-difluorohexa-1,3,5-trien-2-ol
SMILESOC(/C=C\C(=C\F)OCC1CCC(C2CCCCC2)CC1)=C\F
InChIInChI=1S/C19H28F2O2/c20-12-18(22)10-11-19(13-21)23-14-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h10-13,15-17,22H,1-9,14H2/b11-10-,18-12-,19-13-
InChIKeyHGKMTLKLDRGTMQ-YFFVYVIFSA-N
XLogP6.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.43
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1Z,3Z,5Z)-5-[(4-cyclohexylcyclohexyl)methoxy]-1,6-difluorohexa-1,3,5-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

(1E,3E,5Z)-4-[(4-cyclohexylcyclohexyl)methoxy]-5,6-difluorohexa-1,3,5-trien-1-ol
CID 126626604
(3Z,5Z)-6-[[4-(4-ethenylcyclohexyl)cyclohexyl]methoxy]-4,5-difluorohexa-1,3,5-trien-3-ol
CID 126727490
(1Z,3E,5E)-6-[[4-(4-ethenylcyclohexyl)cyclohexyl]methoxy]-1,2-difluorohexa-1,3,5-trien-3-ol
CID 126727528
(3Z,5Z)-6-[(4-cyclohexylcyclohexyl)methoxy]-4,5-difluorohexa-1,3,5-trien-3-ol
CID 126727550
1-ethenyl-4-[4-[[(1Z,3Z)-4-ethoxy-2,3-difluorohexa-1,3,5-trienoxy]methyl]cyclohexyl]cyclohexane
CID 126727581
(3Z)-5-[(4-ethenylcyclohexyl)methoxy]-3,4-difluorohexa-1,3,5-trien-2-ol
CID 126727582
1-cyclohexyl-4-[[(2E,4Z)-4,5-difluorohexa-2,4-dien-3-yl]oxymethyl]cyclohexane
CID 134447489
1-cyclohexyl-4-[[(1E,3Z)-1,3,4-trifluoropenta-1,3-dien-2-yl]oxymethyl]cyclohexane
CID 134447539
1-[[(3Z)-5-ethoxy-3,4-difluorohexa-1,3,5-trien-2-yl]oxymethyl]-4-(4-propylcyclohexyl)cyclohexane
CID 134467415
1-[[(1Z,3E,5E)-6-ethoxy-1,2-difluorohexa-1,3,5-trien-3-yl]oxymethyl]-4-(4-methylcyclohexyl)cyclohexane
CID 135161125
1-[[(1Z,3Z)-4-ethoxy-2,3-difluorohexa-1,3,5-trienoxy]methyl]-4-(4-methylcyclohexyl)cyclohexane
CID 135161171
[4-[4-[(Z)-but-2-enoxy]-2-fluorocyclohexyl]-2,3-difluorocyclohexyl]methanol
CID 140678026

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z,5Z)-5-[(4-cyclohexylcyclohexyl)methoxy]-1,6-difluorohexa-1,3,5-trien-2-ol?
The IUPAC name of (1Z,3Z,5Z)-5-[(4-cyclohexylcyclohexyl)methoxy]-1,6-difluorohexa-1,3,5-trien-2-ol (CID 126626706) is (1Z,3Z,5Z)-5-[(4-cyclohexylcyclohexyl)methoxy]-1,6-difluorohexa-1,3,5-trien-2-ol.
What is the SMILES notation for (1Z,3Z,5Z)-5-[(4-cyclohexylcyclohexyl)methoxy]-1,6-difluorohexa-1,3,5-trien-2-ol?
The canonical SMILES for (1Z,3Z,5Z)-5-[(4-cyclohexylcyclohexyl)methoxy]-1,6-difluorohexa-1,3,5-trien-2-ol is OC(/C=C\C(=C\F)OCC1CCC(C2CCCCC2)CC1)=C\F.
What is the InChIKey of (1Z,3Z,5Z)-5-[(4-cyclohexylcyclohexyl)methoxy]-1,6-difluorohexa-1,3,5-trien-2-ol?
The InChIKey is HGKMTLKLDRGTMQ-YFFVYVIFSA-N. The full InChI is InChI=1S/C19H28F2O2/c20-12-18(22)10-11-19(13-21)23-14-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h10-13,15-17,22H,1-9,14H2/b11-10-,18-12-,19-13-.
What are the key properties of (1Z,3Z,5Z)-5-[(4-cyclohexylcyclohexyl)methoxy]-1,6-difluorohexa-1,3,5-trien-2-ol?
(1Z,3Z,5Z)-5-[(4-cyclohexylcyclohexyl)methoxy]-1,6-difluorohexa-1,3,5-trien-2-ol has a molecular weight of 326.43 g/mol, XLogP of 6.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z,5Z)-5-[(4-cyclohexylcyclohexyl)methoxy]-1,6-difluorohexa-1,3,5-trien-2-ol is sourced from PubChem (CID 126626706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).