1-(2-prop-2-enoxyethyl)-4-(4-propylcyclohexyl)cyclohexane

C20H36O — CID 18649539

IUPAC1-(2-prop-2-enoxyethyl)-4-(4-propylcyclohexyl)cyclohexane
SMILESC=CCOCCC1CCC(C2CCC(CCC)CC2)CC1
InChIInChI=1S/C20H36O/c1-3-5-17-6-10-19(11-7-17)20-12-8-18(9-13-20)14-16-21-15-4-2/h4,17-20H,2-3,5-16H2,1H3
InChIKeyRPQZFWHNZPURMB-UHFFFAOYSA-N
MW292.51 g/mol
LogP5.99
Rot. Bonds8

About 1-(2-prop-2-enoxyethyl)-4-(4-propylcyclohexyl)cyclohexane

1-(2-prop-2-enoxyethyl)-4-(4-propylcyclohexyl)cyclohexane (PubChem CID 18649539) has the molecular formula C20H36O and a molecular weight of 292.51 g/mol. Its IUPAC name is 1-(2-prop-2-enoxyethyl)-4-(4-propylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-(2-prop-2-enoxyethyl)-4-(4-propylcyclohexyl)cyclohexane
PubChem CID18649539
Molecular FormulaC20H36O
Molecular Weight292.51 g/mol
Exact Mass292.28
IUPAC Name1-(2-prop-2-enoxyethyl)-4-(4-propylcyclohexyl)cyclohexane
SMILESC=CCOCCC1CCC(C2CCC(CCC)CC2)CC1
InChIInChI=1S/C20H36O/c1-3-5-17-6-10-19(11-7-17)20-12-8-18(9-13-20)14-16-21-15-4-2/h4,17-20H,2-3,5-16H2,1H3
InChIKeyRPQZFWHNZPURMB-UHFFFAOYSA-N
XLogP5.99
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 ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-prop-2-enoxyethyl)-4-(4-propylcyclohexyl)cyclohexane?
The IUPAC name of 1-(2-prop-2-enoxyethyl)-4-(4-propylcyclohexyl)cyclohexane (CID 18649539) is 1-(2-prop-2-enoxyethyl)-4-(4-propylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-(2-prop-2-enoxyethyl)-4-(4-propylcyclohexyl)cyclohexane?
The canonical SMILES for 1-(2-prop-2-enoxyethyl)-4-(4-propylcyclohexyl)cyclohexane is C=CCOCCC1CCC(C2CCC(CCC)CC2)CC1.
What is the InChIKey of 1-(2-prop-2-enoxyethyl)-4-(4-propylcyclohexyl)cyclohexane?
The InChIKey is RPQZFWHNZPURMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O/c1-3-5-17-6-10-19(11-7-17)20-12-8-18(9-13-20)14-16-21-15-4-2/h4,17-20H,2-3,5-16H2,1H3.
What are the key properties of 1-(2-prop-2-enoxyethyl)-4-(4-propylcyclohexyl)cyclohexane?
1-(2-prop-2-enoxyethyl)-4-(4-propylcyclohexyl)cyclohexane has a molecular weight of 292.51 g/mol, XLogP of 5.99, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-prop-2-enoxyethyl)-4-(4-propylcyclohexyl)cyclohexane is sourced from PubChem (CID 18649539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).