1-prop-2-enoxy-4-[4-[4-(4-prop-2-enylcyclohexyl)butyl]cyclohexyl]-2-propylbenzene

C31H48O — CID 54025317

IUPAC1-prop-2-enoxy-4-[4-[4-(4-prop-2-enylcyclohexyl)butyl]cyclohexyl]-2-propylbenzene
SMILESC=CCOc1ccc(C2CCC(CCCCC3CCC(CC=C)CC3)CC2)cc1CCC
InChIInChI=1S/C31H48O/c1-4-9-25-13-15-26(16-14-25)11-7-8-12-27-17-19-28(20-18-27)29-21-22-31(32-23-6-3)30(24-29)10-5-2/h4,6,21-22,24-28H,1,3,5,7-20,23H2,2H3
InChIKeyLBTPCNXSEVJCKY-UHFFFAOYSA-N
MW436.72 g/mol
LogP9.42
Rot. Bonds13

About 1-prop-2-enoxy-4-[4-[4-(4-prop-2-enylcyclohexyl)butyl]cyclohexyl]-2-propylbenzene

1-prop-2-enoxy-4-[4-[4-(4-prop-2-enylcyclohexyl)butyl]cyclohexyl]-2-propylbenzene (PubChem CID 54025317) has the molecular formula C31H48O and a molecular weight of 436.72 g/mol. Its IUPAC name is 1-prop-2-enoxy-4-[4-[4-(4-prop-2-enylcyclohexyl)butyl]cyclohexyl]-2-propylbenzene.

Molecular Properties

Compound Name1-prop-2-enoxy-4-[4-[4-(4-prop-2-enylcyclohexyl)butyl]cyclohexyl]-2-propylbenzene
PubChem CID54025317
Molecular FormulaC31H48O
Molecular Weight436.72 g/mol
Exact Mass436.37
IUPAC Name1-prop-2-enoxy-4-[4-[4-(4-prop-2-enylcyclohexyl)butyl]cyclohexyl]-2-propylbenzene
SMILESC=CCOc1ccc(C2CCC(CCCCC3CCC(CC=C)CC3)CC2)cc1CCC
InChIInChI=1S/C31H48O/c1-4-9-25-13-15-26(16-14-25)11-7-8-12-27-17-19-28(20-18-27)29-21-22-31(32-23-6-3)30(24-29)10-5-2/h4,6,21-22,24-28H,1,3,5,7-20,23H2,2H3
InChIKeyLBTPCNXSEVJCKY-UHFFFAOYSA-N
XLogP9.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.72
LogP ≤ 59.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-prop-2-enoxy-2-propyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 67893415
1-fluoro-6-(4-pentylcyclohexyl)-2-prop-2-enoxynaphthalene
CID 139861263
2-[4-(3-fluoro-4-prop-2-enoxyphenyl)cyclohexyl]-6-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139869925
1-butoxy-4-(4-prop-2-enylcyclohexyl)benzene
CID 20676986
1-fluoro-6-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]-2-prop-2-enoxynaphthalene
CID 139862174
5-butyl-2-[4-prop-2-enoxy-3-(4-propylcyclohexyl)phenyl]-1,3-dioxane
CID 54492152
1-butoxy-2-methyl-4-(4-nonylcyclohexyl)benzene
CID 18646819
2-fluoro-4-[4-[4-(4-prop-2-enylcyclohexyl)butyl]cyclohexyl]benzonitrile
CID 67748222
3-[2-(2-hydroxyethoxy)-5-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]propyl 2-methylprop-2-enoate
CID 134193424
1-(4-octylcyclohexyl)-4-(prop-2-enoxymethyl)benzene
CID 18649527
3-(4-prop-2-enylcyclohexyl)-6-propylbenzene-1,2-dicarbonitrile
CID 70466493
6-[(2R,4aR)-6-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1-fluoro-2-prop-2-enoxynaphthalene
CID 20807788

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enoxy-4-[4-[4-(4-prop-2-enylcyclohexyl)butyl]cyclohexyl]-2-propylbenzene?
The IUPAC name of 1-prop-2-enoxy-4-[4-[4-(4-prop-2-enylcyclohexyl)butyl]cyclohexyl]-2-propylbenzene (CID 54025317) is 1-prop-2-enoxy-4-[4-[4-(4-prop-2-enylcyclohexyl)butyl]cyclohexyl]-2-propylbenzene.
What is the SMILES notation for 1-prop-2-enoxy-4-[4-[4-(4-prop-2-enylcyclohexyl)butyl]cyclohexyl]-2-propylbenzene?
The canonical SMILES for 1-prop-2-enoxy-4-[4-[4-(4-prop-2-enylcyclohexyl)butyl]cyclohexyl]-2-propylbenzene is C=CCOc1ccc(C2CCC(CCCCC3CCC(CC=C)CC3)CC2)cc1CCC.
What is the InChIKey of 1-prop-2-enoxy-4-[4-[4-(4-prop-2-enylcyclohexyl)butyl]cyclohexyl]-2-propylbenzene?
The InChIKey is LBTPCNXSEVJCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H48O/c1-4-9-25-13-15-26(16-14-25)11-7-8-12-27-17-19-28(20-18-27)29-21-22-31(32-23-6-3)30(24-29)10-5-2/h4,6,21-22,24-28H,1,3,5,7-20,23H2,2H3.
What are the key properties of 1-prop-2-enoxy-4-[4-[4-(4-prop-2-enylcyclohexyl)butyl]cyclohexyl]-2-propylbenzene?
1-prop-2-enoxy-4-[4-[4-(4-prop-2-enylcyclohexyl)butyl]cyclohexyl]-2-propylbenzene has a molecular weight of 436.72 g/mol, XLogP of 9.42, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enoxy-4-[4-[4-(4-prop-2-enylcyclohexyl)butyl]cyclohexyl]-2-propylbenzene is sourced from PubChem (CID 54025317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).