(5-methyl-2-propan-2-ylcyclohexyl) prop-2-enyl carbonate

C14H24O3 — CID 20552001

IUPAC(5-methyl-2-propan-2-ylcyclohexyl) prop-2-enyl carbonate
SMILESC=CCOC(=O)OC1CC(C)CCC1C(C)C
InChIInChI=1S/C14H24O3/c1-5-8-16-14(15)17-13-9-11(4)6-7-12(13)10(2)3/h5,10-13H,1,6-9H2,2-4H3
InChIKeyNHTKRGAQECGOKI-UHFFFAOYSA-N
MW240.34 g/mol
LogP3.79
Rot. Bonds4

About (5-methyl-2-propan-2-ylcyclohexyl) prop-2-enyl carbonate

(5-methyl-2-propan-2-ylcyclohexyl) prop-2-enyl carbonate (PubChem CID 20552001) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is (5-methyl-2-propan-2-ylcyclohexyl) prop-2-enyl carbonate.

Molecular Properties

Compound Name(5-methyl-2-propan-2-ylcyclohexyl) prop-2-enyl carbonate
PubChem CID20552001
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name(5-methyl-2-propan-2-ylcyclohexyl) prop-2-enyl carbonate
SMILESC=CCOC(=O)OC1CC(C)CCC1C(C)C
InChIInChI=1S/C14H24O3/c1-5-8-16-14(15)17-13-9-11(4)6-7-12(13)10(2)3/h5,10-13H,1,6-9H2,2-4H3
InChIKeyNHTKRGAQECGOKI-UHFFFAOYSA-N
XLogP3.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5-methyl-2-propan-2-ylcyclohexyl) prop-2-enyl carbonate 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 (5-methyl-2-propan-2-ylcyclohexyl) prop-2-enyl carbonate?
The IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) prop-2-enyl carbonate (CID 20552001) is (5-methyl-2-propan-2-ylcyclohexyl) prop-2-enyl carbonate.
What is the SMILES notation for (5-methyl-2-propan-2-ylcyclohexyl) prop-2-enyl carbonate?
The canonical SMILES for (5-methyl-2-propan-2-ylcyclohexyl) prop-2-enyl carbonate is C=CCOC(=O)OC1CC(C)CCC1C(C)C.
What is the InChIKey of (5-methyl-2-propan-2-ylcyclohexyl) prop-2-enyl carbonate?
The InChIKey is NHTKRGAQECGOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-5-8-16-14(15)17-13-9-11(4)6-7-12(13)10(2)3/h5,10-13H,1,6-9H2,2-4H3.
What are the key properties of (5-methyl-2-propan-2-ylcyclohexyl) prop-2-enyl carbonate?
(5-methyl-2-propan-2-ylcyclohexyl) prop-2-enyl carbonate has a molecular weight of 240.34 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-propan-2-ylcyclohexyl) prop-2-enyl carbonate is sourced from PubChem (CID 20552001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).