1-[(E)-prop-1-enyl]-4-[(E)-3,6,7-trimethyl-10-(trifluoromethoxy)undec-1-enyl]cyclohexane

C24H41F3O — CID 142549390

IUPAC1-[(E)-prop-1-enyl]-4-[(E)-3,6,7-trimethyl-10-(trifluoromethoxy)undec-1-enyl]cyclohexane
SMILESC/C=C/C1CCC(/C=C/C(C)CCC(C)C(C)CCC(C)OC(F)(F)F)CC1
InChIInChI=1S/C24H41F3O/c1-6-7-22-14-16-23(17-15-22)13-9-18(2)8-10-19(3)20(4)11-12-21(5)28-24(25,26)27/h6-7,9,13,18-23H,8,10-12,14-17H2,1-5H3/b7-6+,13-9+
InChIKeyFEWVJCCMWUQIAV-WRSMZVRVSA-N
MW402.59 g/mol
LogP8.32
Rot. Bonds11

About 1-[(E)-prop-1-enyl]-4-[(E)-3,6,7-trimethyl-10-(trifluoromethoxy)undec-1-enyl]cyclohexane

1-[(E)-prop-1-enyl]-4-[(E)-3,6,7-trimethyl-10-(trifluoromethoxy)undec-1-enyl]cyclohexane (PubChem CID 142549390) has the molecular formula C24H41F3O and a molecular weight of 402.59 g/mol. Its IUPAC name is 1-[(E)-prop-1-enyl]-4-[(E)-3,6,7-trimethyl-10-(trifluoromethoxy)undec-1-enyl]cyclohexane.

Molecular Properties

Compound Name1-[(E)-prop-1-enyl]-4-[(E)-3,6,7-trimethyl-10-(trifluoromethoxy)undec-1-enyl]cyclohexane
PubChem CID142549390
Molecular FormulaC24H41F3O
Molecular Weight402.59 g/mol
Exact Mass402.31
IUPAC Name1-[(E)-prop-1-enyl]-4-[(E)-3,6,7-trimethyl-10-(trifluoromethoxy)undec-1-enyl]cyclohexane
SMILESC/C=C/C1CCC(/C=C/C(C)CCC(C)C(C)CCC(C)OC(F)(F)F)CC1
InChIInChI=1S/C24H41F3O/c1-6-7-22-14-16-23(17-15-22)13-9-18(2)8-10-19(3)20(4)11-12-21(5)28-24(25,26)27/h6-7,9,13,18-23H,8,10-12,14-17H2,1-5H3/b7-6+,13-9+
InChIKeyFEWVJCCMWUQIAV-WRSMZVRVSA-N
XLogP8.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.59
LogP ≤ 58.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[(E)-prop-1-enyl]-4-[(E)-3,6,7-trimethyl-10-(trifluoromethoxy)undec-1-enyl]cyclohexane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-prop-1-enyl]-4-[(E)-3,6,7-trimethyl-10-(trifluoromethoxy)undec-1-enyl]cyclohexane?
The IUPAC name of 1-[(E)-prop-1-enyl]-4-[(E)-3,6,7-trimethyl-10-(trifluoromethoxy)undec-1-enyl]cyclohexane (CID 142549390) is 1-[(E)-prop-1-enyl]-4-[(E)-3,6,7-trimethyl-10-(trifluoromethoxy)undec-1-enyl]cyclohexane.
What is the SMILES notation for 1-[(E)-prop-1-enyl]-4-[(E)-3,6,7-trimethyl-10-(trifluoromethoxy)undec-1-enyl]cyclohexane?
The canonical SMILES for 1-[(E)-prop-1-enyl]-4-[(E)-3,6,7-trimethyl-10-(trifluoromethoxy)undec-1-enyl]cyclohexane is C/C=C/C1CCC(/C=C/C(C)CCC(C)C(C)CCC(C)OC(F)(F)F)CC1.
What is the InChIKey of 1-[(E)-prop-1-enyl]-4-[(E)-3,6,7-trimethyl-10-(trifluoromethoxy)undec-1-enyl]cyclohexane?
The InChIKey is FEWVJCCMWUQIAV-WRSMZVRVSA-N. The full InChI is InChI=1S/C24H41F3O/c1-6-7-22-14-16-23(17-15-22)13-9-18(2)8-10-19(3)20(4)11-12-21(5)28-24(25,26)27/h6-7,9,13,18-23H,8,10-12,14-17H2,1-5H3/b7-6+,13-9+.
What are the key properties of 1-[(E)-prop-1-enyl]-4-[(E)-3,6,7-trimethyl-10-(trifluoromethoxy)undec-1-enyl]cyclohexane?
1-[(E)-prop-1-enyl]-4-[(E)-3,6,7-trimethyl-10-(trifluoromethoxy)undec-1-enyl]cyclohexane has a molecular weight of 402.59 g/mol, XLogP of 8.32, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-prop-1-enyl]-4-[(E)-3,6,7-trimethyl-10-(trifluoromethoxy)undec-1-enyl]cyclohexane is sourced from PubChem (CID 142549390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).