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

C19H34O — CID 18649540

IUPAC1-(prop-2-enoxymethyl)-4-(4-propylcyclohexyl)cyclohexane
SMILESC=CCOCC1CCC(C2CCC(CCC)CC2)CC1
InChIInChI=1S/C19H34O/c1-3-5-16-6-10-18(11-7-16)19-12-8-17(9-13-19)15-20-14-4-2/h4,16-19H,2-3,5-15H2,1H3
InChIKeyQRIFKSXFWJOBFZ-UHFFFAOYSA-N
MW278.48 g/mol
LogP5.60
Rot. Bonds7

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

1-(prop-2-enoxymethyl)-4-(4-propylcyclohexyl)cyclohexane (PubChem CID 18649540) has the molecular formula C19H34O and a molecular weight of 278.48 g/mol. Its IUPAC name is 1-(prop-2-enoxymethyl)-4-(4-propylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-(prop-2-enoxymethyl)-4-(4-propylcyclohexyl)cyclohexane
PubChem CID18649540
Molecular FormulaC19H34O
Molecular Weight278.48 g/mol
Exact Mass278.26
IUPAC Name1-(prop-2-enoxymethyl)-4-(4-propylcyclohexyl)cyclohexane
SMILESC=CCOCC1CCC(C2CCC(CCC)CC2)CC1
InChIInChI=1S/C19H34O/c1-3-5-16-6-10-18(11-7-16)19-12-8-17(9-13-19)15-20-14-4-2/h4,16-19H,2-3,5-15H2,1H3
InChIKeyQRIFKSXFWJOBFZ-UHFFFAOYSA-N
XLogP5.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.48
LogP ≤ 55.60
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'}

Analyze 1-(prop-2-enoxymethyl)-4-(4-propylcyclohexyl)cyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(prop-2-enoxymethyl)-4-(4-propylcyclohexyl)cyclohexane?
The IUPAC name of 1-(prop-2-enoxymethyl)-4-(4-propylcyclohexyl)cyclohexane (CID 18649540) is 1-(prop-2-enoxymethyl)-4-(4-propylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-(prop-2-enoxymethyl)-4-(4-propylcyclohexyl)cyclohexane?
The canonical SMILES for 1-(prop-2-enoxymethyl)-4-(4-propylcyclohexyl)cyclohexane is C=CCOCC1CCC(C2CCC(CCC)CC2)CC1.
What is the InChIKey of 1-(prop-2-enoxymethyl)-4-(4-propylcyclohexyl)cyclohexane?
The InChIKey is QRIFKSXFWJOBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O/c1-3-5-16-6-10-18(11-7-16)19-12-8-17(9-13-19)15-20-14-4-2/h4,16-19H,2-3,5-15H2,1H3.
What are the key properties of 1-(prop-2-enoxymethyl)-4-(4-propylcyclohexyl)cyclohexane?
1-(prop-2-enoxymethyl)-4-(4-propylcyclohexyl)cyclohexane has a molecular weight of 278.48 g/mol, XLogP of 5.60, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(prop-2-enoxymethyl)-4-(4-propylcyclohexyl)cyclohexane is sourced from PubChem (CID 18649540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).