1-propyl-4-[1-[4-(4-propylcyclohexyl)cyclohexyl]prop-1-en-2-yl]cyclohexane

C27H48 — CID 54147269

IUPAC1-propyl-4-[1-[4-(4-propylcyclohexyl)cyclohexyl]prop-1-en-2-yl]cyclohexane
SMILESCCCC1CCC(C(C)=CC2CCC(C3CCC(CCC)CC3)CC2)CC1
InChIInChI=1S/C27H48/c1-4-6-22-8-14-25(15-9-22)21(3)20-24-12-18-27(19-13-24)26-16-10-23(7-5-2)11-17-26/h20,22-27H,4-19H2,1-3H3
InChIKeyOFGUPOQVDYHGNY-UHFFFAOYSA-N
MW372.68 g/mol
LogP8.95
Rot. Bonds7

About 1-propyl-4-[1-[4-(4-propylcyclohexyl)cyclohexyl]prop-1-en-2-yl]cyclohexane

1-propyl-4-[1-[4-(4-propylcyclohexyl)cyclohexyl]prop-1-en-2-yl]cyclohexane (PubChem CID 54147269) has the molecular formula C27H48 and a molecular weight of 372.68 g/mol. Its IUPAC name is 1-propyl-4-[1-[4-(4-propylcyclohexyl)cyclohexyl]prop-1-en-2-yl]cyclohexane.

Molecular Properties

Compound Name1-propyl-4-[1-[4-(4-propylcyclohexyl)cyclohexyl]prop-1-en-2-yl]cyclohexane
PubChem CID54147269
Molecular FormulaC27H48
Molecular Weight372.68 g/mol
Exact Mass372.38
IUPAC Name1-propyl-4-[1-[4-(4-propylcyclohexyl)cyclohexyl]prop-1-en-2-yl]cyclohexane
SMILESCCCC1CCC(C(C)=CC2CCC(C3CCC(CCC)CC3)CC2)CC1
InChIInChI=1S/C27H48/c1-4-6-22-8-14-25(15-9-22)21(3)20-24-12-18-27(19-13-24)26-16-10-23(7-5-2)11-17-26/h20,22-27H,4-19H2,1-3H3
InChIKeyOFGUPOQVDYHGNY-UHFFFAOYSA-N
XLogP8.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.68
LogP ≤ 58.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-propyl-4-[4-(4-propylcyclohexyl)pent-3-enyl]cyclohexane
CID 54061111
1-[(E)-2-bromo-2-fluoroethenyl]-4-propylcyclohexane
CID 58526771
1-butyl-4-[(E)-2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]cyclohexane
CID 139659740
1-methyl-4-[(Z)-4-(4-propylcyclohexyl)pent-3-enyl]cyclohexane
CID 173321092
1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 543958
1-(2,2-difluoroethenyl)-4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexane
CID 22011587
1-but-1-enyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]but-3-enyl]cyclohexane
CID 54450676
ethane;2-[4-(4-propylcyclohexyl)cyclohexyl]prop-2-enal
CID 142208121
2-[2-[4-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]cyclohexyl]ethyl]-5-propyl-1,3-dioxane
CID 20599508
1-pentyl-4-[4-[(E)-2-(4-prop-1-en-2-ylcyclohexyl)ethenyl]cyclohexyl]cyclohexane
CID 142281934
1-methyl-4-[4-[2-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]ethyl]cyclohexyl]cyclohexane
CID 58665476
1-prop-1-enyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]but-1-enyl]cyclohexane
CID 54574523

Frequently Asked Questions

What is the IUPAC name of 1-propyl-4-[1-[4-(4-propylcyclohexyl)cyclohexyl]prop-1-en-2-yl]cyclohexane?
The IUPAC name of 1-propyl-4-[1-[4-(4-propylcyclohexyl)cyclohexyl]prop-1-en-2-yl]cyclohexane (CID 54147269) is 1-propyl-4-[1-[4-(4-propylcyclohexyl)cyclohexyl]prop-1-en-2-yl]cyclohexane.
What is the SMILES notation for 1-propyl-4-[1-[4-(4-propylcyclohexyl)cyclohexyl]prop-1-en-2-yl]cyclohexane?
The canonical SMILES for 1-propyl-4-[1-[4-(4-propylcyclohexyl)cyclohexyl]prop-1-en-2-yl]cyclohexane is CCCC1CCC(C(C)=CC2CCC(C3CCC(CCC)CC3)CC2)CC1.
What is the InChIKey of 1-propyl-4-[1-[4-(4-propylcyclohexyl)cyclohexyl]prop-1-en-2-yl]cyclohexane?
The InChIKey is OFGUPOQVDYHGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H48/c1-4-6-22-8-14-25(15-9-22)21(3)20-24-12-18-27(19-13-24)26-16-10-23(7-5-2)11-17-26/h20,22-27H,4-19H2,1-3H3.
What are the key properties of 1-propyl-4-[1-[4-(4-propylcyclohexyl)cyclohexyl]prop-1-en-2-yl]cyclohexane?
1-propyl-4-[1-[4-(4-propylcyclohexyl)cyclohexyl]prop-1-en-2-yl]cyclohexane has a molecular weight of 372.68 g/mol, XLogP of 8.95, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-4-[1-[4-(4-propylcyclohexyl)cyclohexyl]prop-1-en-2-yl]cyclohexane is sourced from PubChem (CID 54147269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).