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

C23H40O — CID 67864133

IUPAC1-but-3-enyl-4-[2-(4-pent-1-enoxycyclohexyl)ethyl]cyclohexane
SMILESC=CCCC1CCC(CCC2CCC(OC=CCCC)CC2)CC1
InChIInChI=1S/C23H40O/c1-3-5-7-19-24-23-17-15-22(16-18-23)14-13-21-11-9-20(10-12-21)8-6-4-2/h4,7,19-23H,2-3,5-6,8-18H2,1H3
InChIKeyJWJBIKUJDIGGAN-UHFFFAOYSA-N
MW332.57 g/mol
LogP7.43
Rot. Bonds10

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

1-but-3-enyl-4-[2-(4-pent-1-enoxycyclohexyl)ethyl]cyclohexane (PubChem CID 67864133) has the molecular formula C23H40O and a molecular weight of 332.57 g/mol. Its IUPAC name is 1-but-3-enyl-4-[2-(4-pent-1-enoxycyclohexyl)ethyl]cyclohexane.

Molecular Properties

Compound Name1-but-3-enyl-4-[2-(4-pent-1-enoxycyclohexyl)ethyl]cyclohexane
PubChem CID67864133
Molecular FormulaC23H40O
Molecular Weight332.57 g/mol
Exact Mass332.31
IUPAC Name1-but-3-enyl-4-[2-(4-pent-1-enoxycyclohexyl)ethyl]cyclohexane
SMILESC=CCCC1CCC(CCC2CCC(OC=CCCC)CC2)CC1
InChIInChI=1S/C23H40O/c1-3-5-7-19-24-23-17-15-22(16-18-23)14-13-21-11-9-20(10-12-21)8-6-4-2/h4,7,19-23H,2-3,5-6,8-18H2,1H3
InChIKeyJWJBIKUJDIGGAN-UHFFFAOYSA-N
XLogP7.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.57
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-but-3-enyl-4-[2-(4-hex-1-enoxycyclohexyl)ethyl]cyclohexane
CID 67863865
1-but-3-enyl-4-pent-1-enylcyclohexane
CID 123985466
1-but-3-enyl-4-[(E)-pent-1-enyl]cyclohexane
CID 140650697
1-but-3-enyl-4-[2-[4-[(Z)-pent-3-enoxy]cyclohexyl]ethyl]cyclohexane
CID 67864631
1-but-3-enyl-4-[4-(4-butylcyclohexyl)butyl]cyclohexane
CID 19070157
1-but-3-enyl-4-(4-methoxycyclohexyl)cyclohexane
CID 19380394
1-but-3-enoxy-4-[2-[4-[(E)-hex-3-enyl]cyclohexyl]ethyl]cyclohexane
CID 67863833
1-but-3-enyl-4-(4-pentoxycyclohexyl)cyclohexane
CID 19380422
1-[[4-(4-but-3-enylcyclohexyl)cyclohexyl]methoxy]-4-(4-butylcyclohexyl)cyclohexane
CID 22886257
1-hexyl-4-[3-[(E)-pent-1-enoxy]cyclohexyl]cyclohexane
CID 70371948
1-but-3-enyl-4-(4-ethylcyclohexyl)cyclohexane
CID 53487174
1-but-3-enyl-4-(4-methylcyclohexyl)cyclohexane
CID 20683482

Frequently Asked Questions

What is the IUPAC name of 1-but-3-enyl-4-[2-(4-pent-1-enoxycyclohexyl)ethyl]cyclohexane?
The IUPAC name of 1-but-3-enyl-4-[2-(4-pent-1-enoxycyclohexyl)ethyl]cyclohexane (CID 67864133) is 1-but-3-enyl-4-[2-(4-pent-1-enoxycyclohexyl)ethyl]cyclohexane.
What is the SMILES notation for 1-but-3-enyl-4-[2-(4-pent-1-enoxycyclohexyl)ethyl]cyclohexane?
The canonical SMILES for 1-but-3-enyl-4-[2-(4-pent-1-enoxycyclohexyl)ethyl]cyclohexane is C=CCCC1CCC(CCC2CCC(OC=CCCC)CC2)CC1.
What is the InChIKey of 1-but-3-enyl-4-[2-(4-pent-1-enoxycyclohexyl)ethyl]cyclohexane?
The InChIKey is JWJBIKUJDIGGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40O/c1-3-5-7-19-24-23-17-15-22(16-18-23)14-13-21-11-9-20(10-12-21)8-6-4-2/h4,7,19-23H,2-3,5-6,8-18H2,1H3.
What are the key properties of 1-but-3-enyl-4-[2-(4-pent-1-enoxycyclohexyl)ethyl]cyclohexane?
1-but-3-enyl-4-[2-(4-pent-1-enoxycyclohexyl)ethyl]cyclohexane has a molecular weight of 332.57 g/mol, XLogP of 7.43, 10 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-pent-1-enoxycyclohexyl)ethyl]cyclohexane is sourced from PubChem (CID 67864133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).