1-methyl-4-[(Z)-4-(4-propylcyclohexyl)pent-3-enyl]cyclohexane

C21H38 — CID 173321092

IUPAC1-methyl-4-[(Z)-4-(4-propylcyclohexyl)pent-3-enyl]cyclohexane
SMILESCCCC1CCC(/C(C)=C\CCC2CCC(C)CC2)CC1
InChIInChI=1S/C21H38/c1-4-6-19-13-15-21(16-14-19)18(3)7-5-8-20-11-9-17(2)10-12-20/h7,17,19-21H,4-6,8-16H2,1-3H3/b18-7-
InChIKeyPIJQUHUSRFRUAU-WSVATBPTSA-N
MW290.54 g/mol
LogP7.15
Rot. Bonds6

About 1-methyl-4-[(Z)-4-(4-propylcyclohexyl)pent-3-enyl]cyclohexane

1-methyl-4-[(Z)-4-(4-propylcyclohexyl)pent-3-enyl]cyclohexane (PubChem CID 173321092) has the molecular formula C21H38 and a molecular weight of 290.54 g/mol. Its IUPAC name is 1-methyl-4-[(Z)-4-(4-propylcyclohexyl)pent-3-enyl]cyclohexane.

Molecular Properties

Compound Name1-methyl-4-[(Z)-4-(4-propylcyclohexyl)pent-3-enyl]cyclohexane
PubChem CID173321092
Molecular FormulaC21H38
Molecular Weight290.54 g/mol
Exact Mass290.30
IUPAC Name1-methyl-4-[(Z)-4-(4-propylcyclohexyl)pent-3-enyl]cyclohexane
SMILESCCCC1CCC(/C(C)=C\CCC2CCC(C)CC2)CC1
InChIInChI=1S/C21H38/c1-4-6-19-13-15-21(16-14-19)18(3)7-5-8-20-11-9-17(2)10-12-20/h7,17,19-21H,4-6,8-16H2,1-3H3/b18-7-
InChIKeyPIJQUHUSRFRUAU-WSVATBPTSA-N
XLogP7.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.54
LogP ≤ 57.15
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
[(E)-hex-2-en-2-yl]cyclopropane
CID 23063598
1-propyl-4-[1-[4-(4-propylcyclohexyl)cyclohexyl]prop-1-en-2-yl]cyclohexane
CID 54147269
1-methyl-4-[3-methyl-4-(4-propylcyclohexyl)but-2-enyl]cyclohexane
CID 54111448
1,3,6-trimethyl-9-propylcycloundecane
CID 123524783
1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 543958
1-methyl-4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexane
CID 143239770
1-pent-3-enyl-4-propylcyclohexane
CID 72599468
1-methyl-4-propylcycloheptane
CID 90967653
methane;1-methyl-4-[(E)-pent-3-enyl]cyclohexane
CID 158715477
1-[(2Z,4Z)-4,5-difluorohexa-2,4-dien-3-yl]-4-propylcyclohexane
CID 143901343
1-butyl-4-[(Z)-3-(4-propylcyclohexyl)but-2-en-2-yl]cyclohexane
CID 173321261

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(Z)-4-(4-propylcyclohexyl)pent-3-enyl]cyclohexane?
The IUPAC name of 1-methyl-4-[(Z)-4-(4-propylcyclohexyl)pent-3-enyl]cyclohexane (CID 173321092) is 1-methyl-4-[(Z)-4-(4-propylcyclohexyl)pent-3-enyl]cyclohexane.
What is the SMILES notation for 1-methyl-4-[(Z)-4-(4-propylcyclohexyl)pent-3-enyl]cyclohexane?
The canonical SMILES for 1-methyl-4-[(Z)-4-(4-propylcyclohexyl)pent-3-enyl]cyclohexane is CCCC1CCC(/C(C)=C\CCC2CCC(C)CC2)CC1.
What is the InChIKey of 1-methyl-4-[(Z)-4-(4-propylcyclohexyl)pent-3-enyl]cyclohexane?
The InChIKey is PIJQUHUSRFRUAU-WSVATBPTSA-N. The full InChI is InChI=1S/C21H38/c1-4-6-19-13-15-21(16-14-19)18(3)7-5-8-20-11-9-17(2)10-12-20/h7,17,19-21H,4-6,8-16H2,1-3H3/b18-7-.
What are the key properties of 1-methyl-4-[(Z)-4-(4-propylcyclohexyl)pent-3-enyl]cyclohexane?
1-methyl-4-[(Z)-4-(4-propylcyclohexyl)pent-3-enyl]cyclohexane has a molecular weight of 290.54 g/mol, XLogP of 7.15, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(Z)-4-(4-propylcyclohexyl)pent-3-enyl]cyclohexane is sourced from PubChem (CID 173321092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).