(3-methylcyclohex-2-en-1-yl) formate

C8H12O2 — CID 87738453

IUPAC(3-methylcyclohex-2-en-1-yl) formate
SMILESCC1=CC(OC=O)CCC1
InChIInChI=1S/C8H12O2/c1-7-3-2-4-8(5-7)10-6-9/h5-6,8H,2-4H2,1H3
InChIKeyOCJANYWJSBINFY-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.66
Rot. Bonds2

About (3-methylcyclohex-2-en-1-yl) formate

(3-methylcyclohex-2-en-1-yl) formate (PubChem CID 87738453) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is (3-methylcyclohex-2-en-1-yl) formate.

Molecular Properties

Compound Name(3-methylcyclohex-2-en-1-yl) formate
PubChem CID87738453
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name(3-methylcyclohex-2-en-1-yl) formate
SMILESCC1=CC(OC=O)CCC1
InChIInChI=1S/C8H12O2/c1-7-3-2-4-8(5-7)10-6-9/h5-6,8H,2-4H2,1H3
InChIKeyOCJANYWJSBINFY-UHFFFAOYSA-N
XLogP1.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-methylcyclohex-2-en-1-yl) formate?
The IUPAC name of (3-methylcyclohex-2-en-1-yl) formate (CID 87738453) is (3-methylcyclohex-2-en-1-yl) formate.
What is the SMILES notation for (3-methylcyclohex-2-en-1-yl) formate?
The canonical SMILES for (3-methylcyclohex-2-en-1-yl) formate is CC1=CC(OC=O)CCC1.
What is the InChIKey of (3-methylcyclohex-2-en-1-yl) formate?
The InChIKey is OCJANYWJSBINFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-7-3-2-4-8(5-7)10-6-9/h5-6,8H,2-4H2,1H3.
What are the key properties of (3-methylcyclohex-2-en-1-yl) formate?
(3-methylcyclohex-2-en-1-yl) formate has a molecular weight of 140.18 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclohex-2-en-1-yl) formate is sourced from PubChem (CID 87738453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).