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

C18H30 — CID 18724330

IUPAC1-prop-2-enyl-4-(4-prop-2-enylcyclohexyl)cyclohexane
SMILESC=CCC1CCC(C2CCC(CC=C)CC2)CC1
InChIInChI=1S/C18H30/c1-3-5-15-7-11-17(12-8-15)18-13-9-16(6-4-2)10-14-18/h3-4,15-18H,1-2,5-14H2
InChIKeyKXVAUUFJMVMXRY-UHFFFAOYSA-N
MW246.44 g/mol
LogP5.75
Rot. Bonds5

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

1-prop-2-enyl-4-(4-prop-2-enylcyclohexyl)cyclohexane (PubChem CID 18724330) has the molecular formula C18H30 and a molecular weight of 246.44 g/mol. Its IUPAC name is 1-prop-2-enyl-4-(4-prop-2-enylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-prop-2-enyl-4-(4-prop-2-enylcyclohexyl)cyclohexane
PubChem CID18724330
Molecular FormulaC18H30
Molecular Weight246.44 g/mol
Exact Mass246.23
IUPAC Name1-prop-2-enyl-4-(4-prop-2-enylcyclohexyl)cyclohexane
SMILESC=CCC1CCC(C2CCC(CC=C)CC2)CC1
InChIInChI=1S/C18H30/c1-3-5-15-7-11-17(12-8-15)18-13-9-16(6-4-2)10-14-18/h3-4,15-18H,1-2,5-14H2
InChIKeyKXVAUUFJMVMXRY-UHFFFAOYSA-N
XLogP5.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.44
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-prop-2-enyl-4-(4-prop-2-enylcyclohexyl)cyclohexane?
The IUPAC name of 1-prop-2-enyl-4-(4-prop-2-enylcyclohexyl)cyclohexane (CID 18724330) is 1-prop-2-enyl-4-(4-prop-2-enylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-prop-2-enyl-4-(4-prop-2-enylcyclohexyl)cyclohexane?
The canonical SMILES for 1-prop-2-enyl-4-(4-prop-2-enylcyclohexyl)cyclohexane is C=CCC1CCC(C2CCC(CC=C)CC2)CC1.
What is the InChIKey of 1-prop-2-enyl-4-(4-prop-2-enylcyclohexyl)cyclohexane?
The InChIKey is KXVAUUFJMVMXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30/c1-3-5-15-7-11-17(12-8-15)18-13-9-16(6-4-2)10-14-18/h3-4,15-18H,1-2,5-14H2.
What are the key properties of 1-prop-2-enyl-4-(4-prop-2-enylcyclohexyl)cyclohexane?
1-prop-2-enyl-4-(4-prop-2-enylcyclohexyl)cyclohexane has a molecular weight of 246.44 g/mol, XLogP of 5.75, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-4-(4-prop-2-enylcyclohexyl)cyclohexane is sourced from PubChem (CID 18724330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).