[(E)-3-cyclohexylprop-2-enyl] methyl carbonate

C11H18O3 — CID 44622942

IUPAC[(E)-3-cyclohexylprop-2-enyl] methyl carbonate
SMILESCOC(=O)OC/C=C/C1CCCCC1
InChIInChI=1S/C11H18O3/c1-13-11(12)14-9-5-8-10-6-3-2-4-7-10/h5,8,10H,2-4,6-7,9H2,1H3/b8-5+
InChIKeyJCDKOINYJDHSHQ-VMPITWQZSA-N
MW198.26 g/mol
LogP2.91
Rot. Bonds3

About [(E)-3-cyclohexylprop-2-enyl] methyl carbonate

[(E)-3-cyclohexylprop-2-enyl] methyl carbonate (PubChem CID 44622942) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is [(E)-3-cyclohexylprop-2-enyl] methyl carbonate.

Molecular Properties

Compound Name[(E)-3-cyclohexylprop-2-enyl] methyl carbonate
PubChem CID44622942
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name[(E)-3-cyclohexylprop-2-enyl] methyl carbonate
SMILESCOC(=O)OC/C=C/C1CCCCC1
InChIInChI=1S/C11H18O3/c1-13-11(12)14-9-5-8-10-6-3-2-4-7-10/h5,8,10H,2-4,6-7,9H2,1H3/b8-5+
InChIKeyJCDKOINYJDHSHQ-VMPITWQZSA-N
XLogP2.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 [(E)-3-cyclohexylprop-2-enyl] methyl carbonate?
The IUPAC name of [(E)-3-cyclohexylprop-2-enyl] methyl carbonate (CID 44622942) is [(E)-3-cyclohexylprop-2-enyl] methyl carbonate.
What is the SMILES notation for [(E)-3-cyclohexylprop-2-enyl] methyl carbonate?
The canonical SMILES for [(E)-3-cyclohexylprop-2-enyl] methyl carbonate is COC(=O)OC/C=C/C1CCCCC1.
What is the InChIKey of [(E)-3-cyclohexylprop-2-enyl] methyl carbonate?
The InChIKey is JCDKOINYJDHSHQ-VMPITWQZSA-N. The full InChI is InChI=1S/C11H18O3/c1-13-11(12)14-9-5-8-10-6-3-2-4-7-10/h5,8,10H,2-4,6-7,9H2,1H3/b8-5+.
What are the key properties of [(E)-3-cyclohexylprop-2-enyl] methyl carbonate?
[(E)-3-cyclohexylprop-2-enyl] methyl carbonate has a molecular weight of 198.26 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-cyclohexylprop-2-enyl] methyl carbonate is sourced from PubChem (CID 44622942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).