1-but-3-enyl-4-[2-(4-ethoxycyclohexyl)ethyl]cyclohexane

C20H36O — CID 19380350

IUPAC1-but-3-enyl-4-[2-(4-ethoxycyclohexyl)ethyl]cyclohexane
SMILESC=CCCC1CCC(CCC2CCC(OCC)CC2)CC1
InChIInChI=1S/C20H36O/c1-3-5-6-17-7-9-18(10-8-17)11-12-19-13-15-20(16-14-19)21-4-2/h3,17-20H,1,4-16H2,2H3
InChIKeyIXUXAADLAVWPGG-UHFFFAOYSA-N
MW292.51 g/mol
LogP6.13
Rot. Bonds8

About 1-but-3-enyl-4-[2-(4-ethoxycyclohexyl)ethyl]cyclohexane

1-but-3-enyl-4-[2-(4-ethoxycyclohexyl)ethyl]cyclohexane (PubChem CID 19380350) has the molecular formula C20H36O and a molecular weight of 292.51 g/mol. Its IUPAC name is 1-but-3-enyl-4-[2-(4-ethoxycyclohexyl)ethyl]cyclohexane.

Molecular Properties

Compound Name1-but-3-enyl-4-[2-(4-ethoxycyclohexyl)ethyl]cyclohexane
PubChem CID19380350
Molecular FormulaC20H36O
Molecular Weight292.51 g/mol
Exact Mass292.28
IUPAC Name1-but-3-enyl-4-[2-(4-ethoxycyclohexyl)ethyl]cyclohexane
SMILESC=CCCC1CCC(CCC2CCC(OCC)CC2)CC1
InChIInChI=1S/C20H36O/c1-3-5-6-17-7-9-18(10-8-17)11-12-19-13-15-20(16-14-19)21-4-2/h3,17-20H,1,4-16H2,2H3
InChIKeyIXUXAADLAVWPGG-UHFFFAOYSA-N
XLogP6.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.51
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-but-3-enyl-4-[2-(4-ethoxycyclohexyl)ethyl]cyclohexane?
The IUPAC name of 1-but-3-enyl-4-[2-(4-ethoxycyclohexyl)ethyl]cyclohexane (CID 19380350) is 1-but-3-enyl-4-[2-(4-ethoxycyclohexyl)ethyl]cyclohexane.
What is the SMILES notation for 1-but-3-enyl-4-[2-(4-ethoxycyclohexyl)ethyl]cyclohexane?
The canonical SMILES for 1-but-3-enyl-4-[2-(4-ethoxycyclohexyl)ethyl]cyclohexane is C=CCCC1CCC(CCC2CCC(OCC)CC2)CC1.
What is the InChIKey of 1-but-3-enyl-4-[2-(4-ethoxycyclohexyl)ethyl]cyclohexane?
The InChIKey is IXUXAADLAVWPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O/c1-3-5-6-17-7-9-18(10-8-17)11-12-19-13-15-20(16-14-19)21-4-2/h3,17-20H,1,4-16H2,2H3.
What are the key properties of 1-but-3-enyl-4-[2-(4-ethoxycyclohexyl)ethyl]cyclohexane?
1-but-3-enyl-4-[2-(4-ethoxycyclohexyl)ethyl]cyclohexane has a molecular weight of 292.51 g/mol, XLogP of 6.13, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enyl-4-[2-(4-ethoxycyclohexyl)ethyl]cyclohexane is sourced from PubChem (CID 19380350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).