1-cyclohexylprop-2-enyl methyl carbonate

C11H18O3 — CID 11333087

IUPAC1-cyclohexylprop-2-enyl methyl carbonate
SMILESC=CC(OC(=O)OC)C1CCCCC1
InChIInChI=1S/C11H18O3/c1-3-10(14-11(12)13-2)9-7-5-4-6-8-9/h3,9-10H,1,4-8H2,2H3
InChIKeyNYDLESXUXXPUKM-UHFFFAOYSA-N
MW198.26 g/mol
LogP2.90
Rot. Bonds3

About 1-cyclohexylprop-2-enyl methyl carbonate

1-cyclohexylprop-2-enyl methyl carbonate (PubChem CID 11333087) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 1-cyclohexylprop-2-enyl methyl carbonate.

Molecular Properties

Compound Name1-cyclohexylprop-2-enyl methyl carbonate
PubChem CID11333087
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name1-cyclohexylprop-2-enyl methyl carbonate
SMILESC=CC(OC(=O)OC)C1CCCCC1
InChIInChI=1S/C11H18O3/c1-3-10(14-11(12)13-2)9-7-5-4-6-8-9/h3,9-10H,1,4-8H2,2H3
InChIKeyNYDLESXUXXPUKM-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
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 1-cyclohexylprop-2-enyl methyl carbonate?
The IUPAC name of 1-cyclohexylprop-2-enyl methyl carbonate (CID 11333087) is 1-cyclohexylprop-2-enyl methyl carbonate.
What is the SMILES notation for 1-cyclohexylprop-2-enyl methyl carbonate?
The canonical SMILES for 1-cyclohexylprop-2-enyl methyl carbonate is C=CC(OC(=O)OC)C1CCCCC1.
What is the InChIKey of 1-cyclohexylprop-2-enyl methyl carbonate?
The InChIKey is NYDLESXUXXPUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-3-10(14-11(12)13-2)9-7-5-4-6-8-9/h3,9-10H,1,4-8H2,2H3.
What are the key properties of 1-cyclohexylprop-2-enyl methyl carbonate?
1-cyclohexylprop-2-enyl methyl carbonate has a molecular weight of 198.26 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylprop-2-enyl methyl carbonate is sourced from PubChem (CID 11333087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).