cyclohexen-1-yl prop-2-enyl carbonate

C10H14O3 — CID 12848608

IUPACcyclohexen-1-yl prop-2-enyl carbonate
SMILESC=CCOC(=O)OC1=CCCCC1
InChIInChI=1S/C10H14O3/c1-2-8-12-10(11)13-9-6-4-3-5-7-9/h2,6H,1,3-5,7-8H2
InChIKeySXDQFFZYTPLHPJ-UHFFFAOYSA-N
MW182.22 g/mol
LogP2.78
Rot. Bonds3

About cyclohexen-1-yl prop-2-enyl carbonate

cyclohexen-1-yl prop-2-enyl carbonate (PubChem CID 12848608) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is cyclohexen-1-yl prop-2-enyl carbonate.

Molecular Properties

Compound Namecyclohexen-1-yl prop-2-enyl carbonate
PubChem CID12848608
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Namecyclohexen-1-yl prop-2-enyl carbonate
SMILESC=CCOC(=O)OC1=CCCCC1
InChIInChI=1S/C10H14O3/c1-2-8-12-10(11)13-9-6-4-3-5-7-9/h2,6H,1,3-5,7-8H2
InChIKeySXDQFFZYTPLHPJ-UHFFFAOYSA-N
XLogP2.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 52.78
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 cyclohexen-1-yl prop-2-enyl carbonate?
The IUPAC name of cyclohexen-1-yl prop-2-enyl carbonate (CID 12848608) is cyclohexen-1-yl prop-2-enyl carbonate.
What is the SMILES notation for cyclohexen-1-yl prop-2-enyl carbonate?
The canonical SMILES for cyclohexen-1-yl prop-2-enyl carbonate is C=CCOC(=O)OC1=CCCCC1.
What is the InChIKey of cyclohexen-1-yl prop-2-enyl carbonate?
The InChIKey is SXDQFFZYTPLHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-2-8-12-10(11)13-9-6-4-3-5-7-9/h2,6H,1,3-5,7-8H2.
What are the key properties of cyclohexen-1-yl prop-2-enyl carbonate?
cyclohexen-1-yl prop-2-enyl carbonate has a molecular weight of 182.22 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl prop-2-enyl carbonate is sourced from PubChem (CID 12848608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).