[(E)-1-cyclohexylprop-1-enyl] prop-2-enyl carbonate

C13H20O3 — CID 11601019

IUPAC[(E)-1-cyclohexylprop-1-enyl] prop-2-enyl carbonate
SMILESC=CCOC(=O)O/C(=C/C)C1CCCCC1
InChIInChI=1S/C13H20O3/c1-3-10-15-13(14)16-12(4-2)11-8-6-5-7-9-11/h3-4,11H,1,5-10H2,2H3/b12-4+
InChIKeyJSNPMAKQMHNNSP-UUILKARUSA-N
MW224.30 g/mol
LogP3.81
Rot. Bonds4

About [(E)-1-cyclohexylprop-1-enyl] prop-2-enyl carbonate

[(E)-1-cyclohexylprop-1-enyl] prop-2-enyl carbonate (PubChem CID 11601019) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is [(E)-1-cyclohexylprop-1-enyl] prop-2-enyl carbonate.

Molecular Properties

Compound Name[(E)-1-cyclohexylprop-1-enyl] prop-2-enyl carbonate
PubChem CID11601019
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name[(E)-1-cyclohexylprop-1-enyl] prop-2-enyl carbonate
SMILESC=CCOC(=O)O/C(=C/C)C1CCCCC1
InChIInChI=1S/C13H20O3/c1-3-10-15-13(14)16-12(4-2)11-8-6-5-7-9-11/h3-4,11H,1,5-10H2,2H3/b12-4+
InChIKeyJSNPMAKQMHNNSP-UUILKARUSA-N
XLogP3.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-1-cyclohexylprop-1-enyl] prop-2-enyl carbonate?
The IUPAC name of [(E)-1-cyclohexylprop-1-enyl] prop-2-enyl carbonate (CID 11601019) is [(E)-1-cyclohexylprop-1-enyl] prop-2-enyl carbonate.
What is the SMILES notation for [(E)-1-cyclohexylprop-1-enyl] prop-2-enyl carbonate?
The canonical SMILES for [(E)-1-cyclohexylprop-1-enyl] prop-2-enyl carbonate is C=CCOC(=O)O/C(=C/C)C1CCCCC1.
What is the InChIKey of [(E)-1-cyclohexylprop-1-enyl] prop-2-enyl carbonate?
The InChIKey is JSNPMAKQMHNNSP-UUILKARUSA-N. The full InChI is InChI=1S/C13H20O3/c1-3-10-15-13(14)16-12(4-2)11-8-6-5-7-9-11/h3-4,11H,1,5-10H2,2H3/b12-4+.
What are the key properties of [(E)-1-cyclohexylprop-1-enyl] prop-2-enyl carbonate?
[(E)-1-cyclohexylprop-1-enyl] prop-2-enyl carbonate has a molecular weight of 224.30 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-cyclohexylprop-1-enyl] prop-2-enyl carbonate is sourced from PubChem (CID 11601019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).