cyclohex-2-en-1-yl methyl carbonate

C8H12O3 — CID 11073660

IUPACcyclohex-2-en-1-yl methyl carbonate
SMILESCOC(=O)OC1C=CCCC1
InChIInChI=1S/C8H12O3/c1-10-8(9)11-7-5-3-2-4-6-7/h3,5,7H,2,4,6H2,1H3
InChIKeyRSYZTDLLQVZHMN-UHFFFAOYSA-N
MW156.18 g/mol
LogP1.88
Rot. Bonds1

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

cyclohex-2-en-1-yl methyl carbonate (PubChem CID 11073660) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is cyclohex-2-en-1-yl methyl carbonate.

Molecular Properties

Compound Namecyclohex-2-en-1-yl methyl carbonate
PubChem CID11073660
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Namecyclohex-2-en-1-yl methyl carbonate
SMILESCOC(=O)OC1C=CCCC1
InChIInChI=1S/C8H12O3/c1-10-8(9)11-7-5-3-2-4-6-7/h3,5,7H,2,4,6H2,1H3
InChIKeyRSYZTDLLQVZHMN-UHFFFAOYSA-N
XLogP1.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 51.88
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 methyl carbonate?
The IUPAC name of cyclohex-2-en-1-yl methyl carbonate (CID 11073660) is cyclohex-2-en-1-yl methyl carbonate.
What is the SMILES notation for cyclohex-2-en-1-yl methyl carbonate?
The canonical SMILES for cyclohex-2-en-1-yl methyl carbonate is COC(=O)OC1C=CCCC1.
What is the InChIKey of cyclohex-2-en-1-yl methyl carbonate?
The InChIKey is RSYZTDLLQVZHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-10-8(9)11-7-5-3-2-4-6-7/h3,5,7H,2,4,6H2,1H3.
What are the key properties of cyclohex-2-en-1-yl methyl carbonate?
cyclohex-2-en-1-yl methyl carbonate has a molecular weight of 156.18 g/mol, XLogP of 1.88, 1 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 methyl carbonate is sourced from PubChem (CID 11073660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).