1-but-3-enyl-4-(4-prop-2-enylcyclohexyl)cyclohexane

C19H32 — CID 18341906

IUPAC1-but-3-enyl-4-(4-prop-2-enylcyclohexyl)cyclohexane
SMILESC=CCCC1CCC(C2CCC(CC=C)CC2)CC1
InChIInChI=1S/C19H32/c1-3-5-7-17-10-14-19(15-11-17)18-12-8-16(6-4-2)9-13-18/h3-4,16-19H,1-2,5-15H2
InChIKeyPDRJTPPAMPRASE-UHFFFAOYSA-N
MW260.46 g/mol
LogP6.14
Rot. Bonds6

About 1-but-3-enyl-4-(4-prop-2-enylcyclohexyl)cyclohexane

1-but-3-enyl-4-(4-prop-2-enylcyclohexyl)cyclohexane (PubChem CID 18341906) has the molecular formula C19H32 and a molecular weight of 260.46 g/mol. Its IUPAC name is 1-but-3-enyl-4-(4-prop-2-enylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-but-3-enyl-4-(4-prop-2-enylcyclohexyl)cyclohexane
PubChem CID18341906
Molecular FormulaC19H32
Molecular Weight260.46 g/mol
Exact Mass260.25
IUPAC Name1-but-3-enyl-4-(4-prop-2-enylcyclohexyl)cyclohexane
SMILESC=CCCC1CCC(C2CCC(CC=C)CC2)CC1
InChIInChI=1S/C19H32/c1-3-5-7-17-10-14-19(15-11-17)18-12-8-16(6-4-2)9-13-18/h3-4,16-19H,1-2,5-15H2
InChIKeyPDRJTPPAMPRASE-UHFFFAOYSA-N
XLogP6.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.46
LogP ≤ 56.14
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-prop-2-enyl-4-(4-prop-2-enylcyclohexyl)cyclohexane
CID 18724330
1-but-3-enyl-4-(4-ethylcyclohexyl)cyclohexane
CID 53487174
1-prop-2-enyl-4-(4-propylcyclohexyl)cyclohexane
CID 18724324
1-but-3-enyl-4-(4-methylcyclohexyl)cyclohexane
CID 20683482
1-but-3-enyl-4-(4-iodocyclohexyl)cyclohexane
CID 89089631
2-prop-2-enyl-6-(4-prop-2-enylcyclohexyl)-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene
CID 173081121
1-but-3-enyl-4-(4-methoxycyclohexyl)cyclohexane
CID 19380394
1-but-3-enyl-4-[4-[4-(methoxymethyl)cyclohexyl]cyclohexyl]cyclohexane
CID 130414902
2-but-3-enyl-5-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-1,3-dioxane
CID 59108126
1-but-3-enyl-4-(3-propylcyclopentyl)cyclohexane
CID 58555570
4-but-3-enylcyclohexan-1-amine
CID 142229592
but-3-enylcyclododecane
CID 54074675

Frequently Asked Questions

What is the IUPAC name of 1-but-3-enyl-4-(4-prop-2-enylcyclohexyl)cyclohexane?
The IUPAC name of 1-but-3-enyl-4-(4-prop-2-enylcyclohexyl)cyclohexane (CID 18341906) is 1-but-3-enyl-4-(4-prop-2-enylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-but-3-enyl-4-(4-prop-2-enylcyclohexyl)cyclohexane?
The canonical SMILES for 1-but-3-enyl-4-(4-prop-2-enylcyclohexyl)cyclohexane is C=CCCC1CCC(C2CCC(CC=C)CC2)CC1.
What is the InChIKey of 1-but-3-enyl-4-(4-prop-2-enylcyclohexyl)cyclohexane?
The InChIKey is PDRJTPPAMPRASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32/c1-3-5-7-17-10-14-19(15-11-17)18-12-8-16(6-4-2)9-13-18/h3-4,16-19H,1-2,5-15H2.
What are the key properties of 1-but-3-enyl-4-(4-prop-2-enylcyclohexyl)cyclohexane?
1-but-3-enyl-4-(4-prop-2-enylcyclohexyl)cyclohexane has a molecular weight of 260.46 g/mol, XLogP of 6.14, 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-(4-prop-2-enylcyclohexyl)cyclohexane is sourced from PubChem (CID 18341906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).