cyclohexen-1-yl formate

C7H10O2 — CID 18622427

IUPACcyclohexen-1-yl formate
SMILESO=COC1=CCCCC1
InChIInChI=1S/C7H10O2/c8-6-9-7-4-2-1-3-5-7/h4,6H,1-3,5H2
InChIKeyHSYPKGGSGGIXRS-UHFFFAOYSA-N
MW126.15 g/mol
LogP1.62
Rot. Bonds2

About cyclohexen-1-yl formate

cyclohexen-1-yl formate (PubChem CID 18622427) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is cyclohexen-1-yl formate.

Molecular Properties

Compound Namecyclohexen-1-yl formate
PubChem CID18622427
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Namecyclohexen-1-yl formate
SMILESO=COC1=CCCCC1
InChIInChI=1S/C7H10O2/c8-6-9-7-4-2-1-3-5-7/h4,6H,1-3,5H2
InChIKeyHSYPKGGSGGIXRS-UHFFFAOYSA-N
XLogP1.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze cyclohexen-1-yl formate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl formate?
The IUPAC name of cyclohexen-1-yl formate (CID 18622427) is cyclohexen-1-yl formate.
What is the SMILES notation for cyclohexen-1-yl formate?
The canonical SMILES for cyclohexen-1-yl formate is O=COC1=CCCCC1.
What is the InChIKey of cyclohexen-1-yl formate?
The InChIKey is HSYPKGGSGGIXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c8-6-9-7-4-2-1-3-5-7/h4,6H,1-3,5H2.
What are the key properties of cyclohexen-1-yl formate?
cyclohexen-1-yl formate has a molecular weight of 126.15 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl formate is sourced from PubChem (CID 18622427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).