1-but-3-enyl-4-(3-propylcyclopentyl)cyclohexane

C18H32 — CID 58555570

IUPAC1-but-3-enyl-4-(3-propylcyclopentyl)cyclohexane
SMILESC=CCCC1CCC(C2CCC(CCC)C2)CC1
InChIInChI=1S/C18H32/c1-3-5-7-15-8-11-17(12-9-15)18-13-10-16(14-18)6-4-2/h3,15-18H,1,4-14H2,2H3
InChIKeyIBYSXJMDYQAVTI-UHFFFAOYSA-N
MW248.45 g/mol
LogP5.98
Rot. Bonds6

About 1-but-3-enyl-4-(3-propylcyclopentyl)cyclohexane

1-but-3-enyl-4-(3-propylcyclopentyl)cyclohexane (PubChem CID 58555570) has the molecular formula C18H32 and a molecular weight of 248.45 g/mol. Its IUPAC name is 1-but-3-enyl-4-(3-propylcyclopentyl)cyclohexane.

Molecular Properties

Compound Name1-but-3-enyl-4-(3-propylcyclopentyl)cyclohexane
PubChem CID58555570
Molecular FormulaC18H32
Molecular Weight248.45 g/mol
Exact Mass248.25
IUPAC Name1-but-3-enyl-4-(3-propylcyclopentyl)cyclohexane
SMILESC=CCCC1CCC(C2CCC(CCC)C2)CC1
InChIInChI=1S/C18H32/c1-3-5-7-15-8-11-17(12-9-15)18-13-10-16(14-18)6-4-2/h3,15-18H,1,4-14H2,2H3
InChIKeyIBYSXJMDYQAVTI-UHFFFAOYSA-N
XLogP5.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.45
LogP ≤ 55.98
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

3-propylbicyclo[4.2.0]octane
CID 145186098
1-but-3-enyl-4-(4-ethylcyclohexyl)cyclohexane
CID 53487174
1-but-3-enyl-4-(4-methylcyclohexyl)cyclohexane
CID 20683482
2-propyl-6-[4-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139866438
2-ethenyl-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22383771
(4aR,6R,8aR)-2-ethenyl-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20807970
2-[(E)-pent-3-enyl]-6-[4-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139866166
1-prop-2-enyl-4-(4-propylcyclohexyl)cyclohexane
CID 18724324
1-but-3-enyl-4-(4-iodocyclohexyl)cyclohexane
CID 89089631
1-but-3-enyl-4-(4-prop-2-enylcyclohexyl)cyclohexane
CID 18341906
1-but-3-enyl-4-[4-(4-butylcyclohexyl)butyl]cyclohexane
CID 19070157
1-but-3-enyl-4-[4-[4-(methoxymethyl)cyclohexyl]cyclohexyl]cyclohexane
CID 130414902

Frequently Asked Questions

What is the IUPAC name of 1-but-3-enyl-4-(3-propylcyclopentyl)cyclohexane?
The IUPAC name of 1-but-3-enyl-4-(3-propylcyclopentyl)cyclohexane (CID 58555570) is 1-but-3-enyl-4-(3-propylcyclopentyl)cyclohexane.
What is the SMILES notation for 1-but-3-enyl-4-(3-propylcyclopentyl)cyclohexane?
The canonical SMILES for 1-but-3-enyl-4-(3-propylcyclopentyl)cyclohexane is C=CCCC1CCC(C2CCC(CCC)C2)CC1.
What is the InChIKey of 1-but-3-enyl-4-(3-propylcyclopentyl)cyclohexane?
The InChIKey is IBYSXJMDYQAVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32/c1-3-5-7-15-8-11-17(12-9-15)18-13-10-16(14-18)6-4-2/h3,15-18H,1,4-14H2,2H3.
What are the key properties of 1-but-3-enyl-4-(3-propylcyclopentyl)cyclohexane?
1-but-3-enyl-4-(3-propylcyclopentyl)cyclohexane has a molecular weight of 248.45 g/mol, XLogP of 5.98, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enyl-4-(3-propylcyclopentyl)cyclohexane is sourced from PubChem (CID 58555570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).