1-cyclohexyl-4-[[(2E,4Z)-4,5-difluorohexa-2,4-dien-3-yl]oxymethyl]cyclohexane

C19H30F2O — CID 134447489

IUPAC1-cyclohexyl-4-[[(2E,4Z)-4,5-difluorohexa-2,4-dien-3-yl]oxymethyl]cyclohexane
SMILESC/C=C(OCC1CCC(C2CCCCC2)CC1)\C(F)=C(/C)F
InChIInChI=1S/C19H30F2O/c1-3-18(19(21)14(2)20)22-13-15-9-11-17(12-10-15)16-7-5-4-6-8-16/h3,15-17H,4-13H2,1-2H3/b18-3+,19-14-
InChIKeyKAXWGAYYTAVWGW-CMDBDPHCSA-N
MW312.44 g/mol
LogP6.46
Rot. Bonds5

About 1-cyclohexyl-4-[[(2E,4Z)-4,5-difluorohexa-2,4-dien-3-yl]oxymethyl]cyclohexane

1-cyclohexyl-4-[[(2E,4Z)-4,5-difluorohexa-2,4-dien-3-yl]oxymethyl]cyclohexane (PubChem CID 134447489) has the molecular formula C19H30F2O and a molecular weight of 312.44 g/mol. Its IUPAC name is 1-cyclohexyl-4-[[(2E,4Z)-4,5-difluorohexa-2,4-dien-3-yl]oxymethyl]cyclohexane.

Molecular Properties

Compound Name1-cyclohexyl-4-[[(2E,4Z)-4,5-difluorohexa-2,4-dien-3-yl]oxymethyl]cyclohexane
PubChem CID134447489
Molecular FormulaC19H30F2O
Molecular Weight312.44 g/mol
Exact Mass312.23
IUPAC Name1-cyclohexyl-4-[[(2E,4Z)-4,5-difluorohexa-2,4-dien-3-yl]oxymethyl]cyclohexane
SMILESC/C=C(OCC1CCC(C2CCCCC2)CC1)\C(F)=C(/C)F
InChIInChI=1S/C19H30F2O/c1-3-18(19(21)14(2)20)22-13-15-9-11-17(12-10-15)16-7-5-4-6-8-16/h3,15-17H,4-13H2,1-2H3/b18-3+,19-14-
InChIKeyKAXWGAYYTAVWGW-CMDBDPHCSA-N
XLogP6.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.44
LogP ≤ 56.46
H-Bond Donors ≤ 50
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 1-cyclohexyl-4-[[(2E,4Z)-4,5-difluorohexa-2,4-dien-3-yl]oxymethyl]cyclohexane with MolForge

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Related Compounds

3-Ethoxy-6-[4-[[4-(4-ethylcyclohexyl)-5,6-difluorocyclohexa-1,5-dien-1-yl]oxymethyl]cyclohexyl]-1,2-difluorocyclohexa-1,3-diene
CID 68362008
3-[[4-(2,3-Difluoro-4-methoxycyclohexa-2,4-dien-1-yl)cyclohexyl]methoxy]-6-(4-ethylcyclohexyl)-1,2-difluorocyclohexa-1,3-diene
CID 68362115
1,5-Difluoro-2-(1,1,2,3,3,3-hexafluoropropoxy)-5-[4-[4-(methoxymethyl)cyclohexyl]cyclohexyl]cyclohexa-1,3-diene
CID 88372341
1-[[(3E)-4,5-difluorohexa-1,3,5-trien-2-yl]oxy-difluoromethyl]-4-(5-methylhexan-2-yl)cyclohexane
CID 89228841
1-[difluoro-[(3E,5E)-2,6,7-trifluorohepta-1,3,5-trien-4-yl]oxymethyl]-4-(4-propylcyclohexyl)cyclohexane
CID 117943421
(1E,3E,5Z)-4-[(4-cyclohexylcyclohexyl)methoxy]-5,6-difluorohexa-1,3,5-trien-1-ol
CID 126626604
(1Z,3Z,5Z)-5-[(4-cyclohexylcyclohexyl)methoxy]-1,6-difluorohexa-1,3,5-trien-2-ol
CID 126626706
1-ethenyl-4-[4-[[(1Z,3Z)-4-ethoxy-2,3-difluorohexa-1,3,5-trienoxy]methyl]cyclohexyl]cyclohexane
CID 126727581
1-cyclohexyl-4-[[(1E,3Z)-1,3,4-trifluoropenta-1,3-dien-2-yl]oxymethyl]cyclohexane
CID 134447539
6-Ethoxy-3-[[4-(4-ethylcyclohexyl)cyclohexyl]methoxy]-1,2-difluorocyclohexa-1,3-diene
CID 134447724
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

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[[(2E,4Z)-4,5-difluorohexa-2,4-dien-3-yl]oxymethyl]cyclohexane?
The IUPAC name of 1-cyclohexyl-4-[[(2E,4Z)-4,5-difluorohexa-2,4-dien-3-yl]oxymethyl]cyclohexane (CID 134447489) is 1-cyclohexyl-4-[[(2E,4Z)-4,5-difluorohexa-2,4-dien-3-yl]oxymethyl]cyclohexane.
What is the SMILES notation for 1-cyclohexyl-4-[[(2E,4Z)-4,5-difluorohexa-2,4-dien-3-yl]oxymethyl]cyclohexane?
The canonical SMILES for 1-cyclohexyl-4-[[(2E,4Z)-4,5-difluorohexa-2,4-dien-3-yl]oxymethyl]cyclohexane is C/C=C(OCC1CCC(C2CCCCC2)CC1)\C(F)=C(/C)F.
What is the InChIKey of 1-cyclohexyl-4-[[(2E,4Z)-4,5-difluorohexa-2,4-dien-3-yl]oxymethyl]cyclohexane?
The InChIKey is KAXWGAYYTAVWGW-CMDBDPHCSA-N. The full InChI is InChI=1S/C19H30F2O/c1-3-18(19(21)14(2)20)22-13-15-9-11-17(12-10-15)16-7-5-4-6-8-16/h3,15-17H,4-13H2,1-2H3/b18-3+,19-14-.
What are the key properties of 1-cyclohexyl-4-[[(2E,4Z)-4,5-difluorohexa-2,4-dien-3-yl]oxymethyl]cyclohexane?
1-cyclohexyl-4-[[(2E,4Z)-4,5-difluorohexa-2,4-dien-3-yl]oxymethyl]cyclohexane has a molecular weight of 312.44 g/mol, XLogP of 6.46, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[[(2E,4Z)-4,5-difluorohexa-2,4-dien-3-yl]oxymethyl]cyclohexane is sourced from PubChem (CID 134447489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).