1-prop-2-enoxy-2-propyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene

C27H42O — CID 67893415

IUPAC1-prop-2-enoxy-2-propyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
SMILESC=CCOc1ccc(C2CCC(C3CCC(CCC)CC3)CC2)cc1CCC
InChIInChI=1S/C27H42O/c1-4-7-21-9-11-22(12-10-21)23-13-15-24(16-14-23)25-17-18-27(28-19-6-3)26(20-25)8-5-2/h6,17-18,20-24H,3-5,7-16,19H2,1-2H3
InChIKeyWNPDMJOZXWFTAE-UHFFFAOYSA-N
MW382.63 g/mol
LogP8.08
Rot. Bonds9

About 1-prop-2-enoxy-2-propyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene

1-prop-2-enoxy-2-propyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene (PubChem CID 67893415) has the molecular formula C27H42O and a molecular weight of 382.63 g/mol. Its IUPAC name is 1-prop-2-enoxy-2-propyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene.

Molecular Properties

Compound Name1-prop-2-enoxy-2-propyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
PubChem CID67893415
Molecular FormulaC27H42O
Molecular Weight382.63 g/mol
Exact Mass382.32
IUPAC Name1-prop-2-enoxy-2-propyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
SMILESC=CCOc1ccc(C2CCC(C3CCC(CCC)CC3)CC2)cc1CCC
InChIInChI=1S/C27H42O/c1-4-7-21-9-11-22(12-10-21)23-13-15-24(16-14-23)25-17-18-27(28-19-6-3)26(20-25)8-5-2/h6,17-18,20-24H,3-5,7-16,19H2,1-2H3
InChIKeyWNPDMJOZXWFTAE-UHFFFAOYSA-N
XLogP8.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.63
LogP ≤ 58.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-prop-2-enoxy-4-[4-[4-(4-prop-2-enylcyclohexyl)butyl]cyclohexyl]-2-propylbenzene
CID 54025317
2,3-difluoro-1-prop-2-enoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 134358467
2-but-3-en-2-yl-1-propoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 139756935
2-[4-(3-fluoro-4-prop-2-enoxyphenyl)cyclohexyl]-6-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139869925
2-prop-2-enyl-4-(4-propylcyclohexyl)phenol
CID 57348500
2-methoxy-5-[4-(4-propylcyclohexyl)cyclohexyl]benzaldehyde
CID 145059874
2-(4-prop-2-enoxyphenyl)-6-[2-(4-propylcyclohexyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837373
1-fluoro-6-(4-pentylcyclohexyl)-2-prop-2-enoxynaphthalene
CID 139861263
N-[(2-prop-2-enoxyphenyl)methyl]-4-propylcyclohexan-1-amine
CID 63454639
5-butyl-2-[4-prop-2-enoxy-3-(4-propylcyclohexyl)phenyl]-1,3-dioxane
CID 54492152
2-[4-(3,5-difluoro-4-prop-2-enoxyphenyl)cyclohexyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139866593
1-ethyl-2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 14693031

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enoxy-2-propyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
The IUPAC name of 1-prop-2-enoxy-2-propyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene (CID 67893415) is 1-prop-2-enoxy-2-propyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene.
What is the SMILES notation for 1-prop-2-enoxy-2-propyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
The canonical SMILES for 1-prop-2-enoxy-2-propyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene is C=CCOc1ccc(C2CCC(C3CCC(CCC)CC3)CC2)cc1CCC.
What is the InChIKey of 1-prop-2-enoxy-2-propyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
The InChIKey is WNPDMJOZXWFTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42O/c1-4-7-21-9-11-22(12-10-21)23-13-15-24(16-14-23)25-17-18-27(28-19-6-3)26(20-25)8-5-2/h6,17-18,20-24H,3-5,7-16,19H2,1-2H3.
What are the key properties of 1-prop-2-enoxy-2-propyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
1-prop-2-enoxy-2-propyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene has a molecular weight of 382.63 g/mol, XLogP of 8.08, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enoxy-2-propyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene is sourced from PubChem (CID 67893415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).