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

C23H42 — CID 54061111

IUPAC1-propyl-4-[4-(4-propylcyclohexyl)pent-3-enyl]cyclohexane
SMILESCCCC1CCC(CCC=C(C)C2CCC(CCC)CC2)CC1
InChIInChI=1S/C23H42/c1-4-7-20-11-13-22(14-12-20)10-6-9-19(3)23-17-15-21(8-5-2)16-18-23/h9,20-23H,4-8,10-18H2,1-3H3
InChIKeyLZTJULMIEWQMTI-UHFFFAOYSA-N
MW318.59 g/mol
LogP7.93
Rot. Bonds8

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

1-propyl-4-[4-(4-propylcyclohexyl)pent-3-enyl]cyclohexane (PubChem CID 54061111) has the molecular formula C23H42 and a molecular weight of 318.59 g/mol. Its IUPAC name is 1-propyl-4-[4-(4-propylcyclohexyl)pent-3-enyl]cyclohexane.

Molecular Properties

Compound Name1-propyl-4-[4-(4-propylcyclohexyl)pent-3-enyl]cyclohexane
PubChem CID54061111
Molecular FormulaC23H42
Molecular Weight318.59 g/mol
Exact Mass318.33
IUPAC Name1-propyl-4-[4-(4-propylcyclohexyl)pent-3-enyl]cyclohexane
SMILESCCCC1CCC(CCC=C(C)C2CCC(CCC)CC2)CC1
InChIInChI=1S/C23H42/c1-4-7-20-11-13-22(14-12-20)10-6-9-19(3)23-17-15-21(8-5-2)16-18-23/h9,20-23H,4-8,10-18H2,1-3H3
InChIKeyLZTJULMIEWQMTI-UHFFFAOYSA-N
XLogP7.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.59
LogP ≤ 57.93
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-methyl-4-[(Z)-4-(4-propylcyclohexyl)pent-3-enyl]cyclohexane
CID 173321092
[(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-pent-3-enyl-4-propylcyclohexane
CID 72599468
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
N-[4-(4-ethylcyclohexyl)pent-3-enyl]cyclopropanamine
CID 79598240
ethane;propane;propylcyclopropane
CID 145406182
N-(3-methylbut-2-enyl)-4-propylcyclohexan-1-amine
CID 107899807
1,4-dipropylcyclohexane;pentane
CID 90867354
N'-propan-2-yl-4-propylcyclohexane-1-carboximidamide
CID 65402208
1-propyl-4-[2-(4-propylcyclohexyl)ethynyl]cyclohexane
CID 145484566

Frequently Asked Questions

What is the IUPAC name of 1-propyl-4-[4-(4-propylcyclohexyl)pent-3-enyl]cyclohexane?
The IUPAC name of 1-propyl-4-[4-(4-propylcyclohexyl)pent-3-enyl]cyclohexane (CID 54061111) is 1-propyl-4-[4-(4-propylcyclohexyl)pent-3-enyl]cyclohexane.
What is the SMILES notation for 1-propyl-4-[4-(4-propylcyclohexyl)pent-3-enyl]cyclohexane?
The canonical SMILES for 1-propyl-4-[4-(4-propylcyclohexyl)pent-3-enyl]cyclohexane is CCCC1CCC(CCC=C(C)C2CCC(CCC)CC2)CC1.
What is the InChIKey of 1-propyl-4-[4-(4-propylcyclohexyl)pent-3-enyl]cyclohexane?
The InChIKey is LZTJULMIEWQMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42/c1-4-7-20-11-13-22(14-12-20)10-6-9-19(3)23-17-15-21(8-5-2)16-18-23/h9,20-23H,4-8,10-18H2,1-3H3.
What are the key properties of 1-propyl-4-[4-(4-propylcyclohexyl)pent-3-enyl]cyclohexane?
1-propyl-4-[4-(4-propylcyclohexyl)pent-3-enyl]cyclohexane has a molecular weight of 318.59 g/mol, XLogP of 7.93, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-4-[4-(4-propylcyclohexyl)pent-3-enyl]cyclohexane is sourced from PubChem (CID 54061111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).