methyl (1R)-cyclohex-3-ene-1-carboxylate

C8H12O2 — CID 11367040

IUPACmethyl (1R)-cyclohex-3-ene-1-carboxylate
SMILESCOC(=O)[C@H]1CC=CCC1
InChIInChI=1S/C8H12O2/c1-10-8(9)7-5-3-2-4-6-7/h2-3,7H,4-6H2,1H3/t7-/m0/s1
InChIKeyIPUNVLFESXFVFH-ZETCQYMHSA-N
MW140.18 g/mol
LogP1.52
Rot. Bonds1

About methyl (1R)-cyclohex-3-ene-1-carboxylate

methyl (1R)-cyclohex-3-ene-1-carboxylate (PubChem CID 11367040) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is methyl (1R)-cyclohex-3-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R)-cyclohex-3-ene-1-carboxylate
PubChem CID11367040
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Namemethyl (1R)-cyclohex-3-ene-1-carboxylate
SMILESCOC(=O)[C@H]1CC=CCC1
InChIInChI=1S/C8H12O2/c1-10-8(9)7-5-3-2-4-6-7/h2-3,7H,4-6H2,1H3/t7-/m0/s1
InChIKeyIPUNVLFESXFVFH-ZETCQYMHSA-N
XLogP1.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 methyl (1R)-cyclohex-3-ene-1-carboxylate?
The IUPAC name of methyl (1R)-cyclohex-3-ene-1-carboxylate (CID 11367040) is methyl (1R)-cyclohex-3-ene-1-carboxylate.
What is the SMILES notation for methyl (1R)-cyclohex-3-ene-1-carboxylate?
The canonical SMILES for methyl (1R)-cyclohex-3-ene-1-carboxylate is COC(=O)[C@H]1CC=CCC1.
What is the InChIKey of methyl (1R)-cyclohex-3-ene-1-carboxylate?
The InChIKey is IPUNVLFESXFVFH-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H12O2/c1-10-8(9)7-5-3-2-4-6-7/h2-3,7H,4-6H2,1H3/t7-/m0/s1.
What are the key properties of methyl (1R)-cyclohex-3-ene-1-carboxylate?
methyl (1R)-cyclohex-3-ene-1-carboxylate has a molecular weight of 140.18 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R)-cyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 11367040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).