CID 140861274

C6H11O — CID 140861274

IUPAC—
SMILES[CH2]C1(CC)COC1
InChIInChI=1S/C6H11O/c1-3-6(2)4-7-5-6/h2-5H2,1H3
InChIKeyGLCMLQWKNGNNSG-UHFFFAOYSA-N
MW99.15 g/mol
LogP1.25
Rot. Bonds1

About CID 140861274

CID 140861274 (PubChem CID 140861274) has the molecular formula C6H11O and a molecular weight of 99.15 g/mol.

Molecular Properties

Compound NameCID 140861274
PubChem CID140861274
Molecular FormulaC6H11O
Molecular Weight99.15 g/mol
Exact Mass99.08
IUPAC Name—
SMILES[CH2]C1(CC)COC1
InChIInChI=1S/C6H11O/c1-3-6(2)4-7-5-6/h2-5H2,1H3
InChIKeyGLCMLQWKNGNNSG-UHFFFAOYSA-N
XLogP1.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.15
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze CID 140861274 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 140861274?
The IUPAC name of CID 140861274 (CID 140861274) is not available.
What is the SMILES notation for CID 140861274?
The canonical SMILES for CID 140861274 is [CH2]C1(CC)COC1.
What is the InChIKey of CID 140861274?
The InChIKey is GLCMLQWKNGNNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11O/c1-3-6(2)4-7-5-6/h2-5H2,1H3.
What are the key properties of CID 140861274?
CID 140861274 has a molecular weight of 99.15 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140861274 is sourced from PubChem (CID 140861274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).