cyclohex-2-en-1-yl ethyl carbonate

C9H14O3 — CID 11041142

IUPACcyclohex-2-en-1-yl ethyl carbonate
SMILESCCOC(=O)OC1C=CCCC1
InChIInChI=1S/C9H14O3/c1-2-11-9(10)12-8-6-4-3-5-7-8/h4,6,8H,2-3,5,7H2,1H3
InChIKeyHJSBWNSGBACKRZ-UHFFFAOYSA-N
MW170.21 g/mol
LogP2.27
Rot. Bonds2

About cyclohex-2-en-1-yl ethyl carbonate

cyclohex-2-en-1-yl ethyl carbonate (PubChem CID 11041142) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is cyclohex-2-en-1-yl ethyl carbonate.

Molecular Properties

Compound Namecyclohex-2-en-1-yl ethyl carbonate
PubChem CID11041142
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Namecyclohex-2-en-1-yl ethyl carbonate
SMILESCCOC(=O)OC1C=CCCC1
InChIInChI=1S/C9H14O3/c1-2-11-9(10)12-8-6-4-3-5-7-8/h4,6,8H,2-3,5,7H2,1H3
InChIKeyHJSBWNSGBACKRZ-UHFFFAOYSA-N
XLogP2.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 52.27
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 cyclohex-2-en-1-yl ethyl carbonate?
The IUPAC name of cyclohex-2-en-1-yl ethyl carbonate (CID 11041142) is cyclohex-2-en-1-yl ethyl carbonate.
What is the SMILES notation for cyclohex-2-en-1-yl ethyl carbonate?
The canonical SMILES for cyclohex-2-en-1-yl ethyl carbonate is CCOC(=O)OC1C=CCCC1.
What is the InChIKey of cyclohex-2-en-1-yl ethyl carbonate?
The InChIKey is HJSBWNSGBACKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-2-11-9(10)12-8-6-4-3-5-7-8/h4,6,8H,2-3,5,7H2,1H3.
What are the key properties of cyclohex-2-en-1-yl ethyl carbonate?
cyclohex-2-en-1-yl ethyl carbonate has a molecular weight of 170.21 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-2-en-1-yl ethyl carbonate is sourced from PubChem (CID 11041142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).