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

C18H32 — CID 53487174

IUPAC1-but-3-enyl-4-(4-ethylcyclohexyl)cyclohexane
SMILESC=CCCC1CCC(C2CCC(CC)CC2)CC1
InChIInChI=1S/C18H32/c1-3-5-6-16-9-13-18(14-10-16)17-11-7-15(4-2)8-12-17/h3,15-18H,1,4-14H2,2H3
InChIKeyLLTCKIUWGLQXNS-UHFFFAOYSA-N
MW248.45 g/mol
LogP5.98
Rot. Bonds5

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

1-but-3-enyl-4-(4-ethylcyclohexyl)cyclohexane (PubChem CID 53487174) has the molecular formula C18H32 and a molecular weight of 248.45 g/mol. Its IUPAC name is 1-but-3-enyl-4-(4-ethylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-but-3-enyl-4-(4-ethylcyclohexyl)cyclohexane
PubChem CID53487174
Molecular FormulaC18H32
Molecular Weight248.45 g/mol
Exact Mass248.25
IUPAC Name1-but-3-enyl-4-(4-ethylcyclohexyl)cyclohexane
SMILESC=CCCC1CCC(C2CCC(CC)CC2)CC1
InChIInChI=1S/C18H32/c1-3-5-6-16-9-13-18(14-10-16)17-11-7-15(4-2)8-12-17/h3,15-18H,1,4-14H2,2H3
InChIKeyLLTCKIUWGLQXNS-UHFFFAOYSA-N
XLogP5.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
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

1-but-3-enyl-4-(4-methylcyclohexyl)cyclohexane
CID 20683482
1-but-3-enyl-4-(3-propylcyclopentyl)cyclohexane
CID 58555570
1-but-3-enyl-4-(4-prop-2-enylcyclohexyl)cyclohexane
CID 18341906
1-but-3-enyl-4-(4-iodocyclohexyl)cyclohexane
CID 89089631
1-but-3-enyl-4-(4-methoxycyclohexyl)cyclohexane
CID 19380394
1-but-3-enyl-4-[4-[4-(methoxymethyl)cyclohexyl]cyclohexyl]cyclohexane
CID 130414902
1,4-bis(4-ethylcyclohexyl)cyclohexane
CID 21015051
1-ethyl-4-(4-ethylcyclohexyl)cyclohexane
CID 19850408
1-but-3-enyl-4-[4-(4-butylcyclohexyl)butyl]cyclohexane
CID 19070157
1-but-3-enyl-4-(4-pentoxycyclohexyl)cyclohexane
CID 19380422
2-but-3-enyl-5-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-1,3-dioxane
CID 59108126
4-but-3-enylcyclohexan-1-amine
CID 142229592

Frequently Asked Questions

What is the IUPAC name of 1-but-3-enyl-4-(4-ethylcyclohexyl)cyclohexane?
The IUPAC name of 1-but-3-enyl-4-(4-ethylcyclohexyl)cyclohexane (CID 53487174) is 1-but-3-enyl-4-(4-ethylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-but-3-enyl-4-(4-ethylcyclohexyl)cyclohexane?
The canonical SMILES for 1-but-3-enyl-4-(4-ethylcyclohexyl)cyclohexane is C=CCCC1CCC(C2CCC(CC)CC2)CC1.
What is the InChIKey of 1-but-3-enyl-4-(4-ethylcyclohexyl)cyclohexane?
The InChIKey is LLTCKIUWGLQXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32/c1-3-5-6-16-9-13-18(14-10-16)17-11-7-15(4-2)8-12-17/h3,15-18H,1,4-14H2,2H3.
What are the key properties of 1-but-3-enyl-4-(4-ethylcyclohexyl)cyclohexane?
1-but-3-enyl-4-(4-ethylcyclohexyl)cyclohexane has a molecular weight of 248.45 g/mol, XLogP of 5.98, 5 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-(4-ethylcyclohexyl)cyclohexane is sourced from PubChem (CID 53487174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).