CID 59269666

C7H10O2 — CID 59269666

IUPAC—
SMILES[CH]C1COC(C)(C=C)O1
InChIInChI=1S/C7H10O2/c1-4-7(3)8-5-6(2)9-7/h2,4,6H,1,5H2,3H3
InChIKeyMCGKGDRYEYRYFT-UHFFFAOYSA-N
MW126.15 g/mol
LogP1.02
Rot. Bonds1

About CID 59269666

CID 59269666 (PubChem CID 59269666) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol.

Molecular Properties

Compound NameCID 59269666
PubChem CID59269666
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name—
SMILES[CH]C1COC(C)(C=C)O1
InChIInChI=1S/C7H10O2/c1-4-7(3)8-5-6(2)9-7/h2,4,6H,1,5H2,3H3
InChIKeyMCGKGDRYEYRYFT-UHFFFAOYSA-N
XLogP1.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 59269666 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 CID 59269666?
The IUPAC name of CID 59269666 (CID 59269666) is not available.
What is the SMILES notation for CID 59269666?
The canonical SMILES for CID 59269666 is [CH]C1COC(C)(C=C)O1.
What is the InChIKey of CID 59269666?
The InChIKey is MCGKGDRYEYRYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-4-7(3)8-5-6(2)9-7/h2,4,6H,1,5H2,3H3.
What are the key properties of CID 59269666?
CID 59269666 has a molecular weight of 126.15 g/mol, XLogP of 1.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59269666 is sourced from PubChem (CID 59269666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).