CID 59268992

C9H14O2 — CID 59268992

IUPAC—
SMILES[CH]C1COC2(CCCCC2)O1
InChIInChI=1S/C9H14O2/c1-8-7-10-9(11-8)5-3-2-4-6-9/h1,8H,2-7H2
InChIKeyHCBVZHULBTWUPV-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.77
Rot. Bonds

About CID 59268992

CID 59268992 (PubChem CID 59268992) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol.

Molecular Properties

Compound NameCID 59268992
PubChem CID59268992
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name—
SMILES[CH]C1COC2(CCCCC2)O1
InChIInChI=1S/C9H14O2/c1-8-7-10-9(11-8)5-3-2-4-6-9/h1,8H,2-7H2
InChIKeyHCBVZHULBTWUPV-UHFFFAOYSA-N
XLogP1.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze CID 59268992 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 59268992?
The IUPAC name of CID 59268992 (CID 59268992) is not available.
What is the SMILES notation for CID 59268992?
The canonical SMILES for CID 59268992 is [CH]C1COC2(CCCCC2)O1.
What is the InChIKey of CID 59268992?
The InChIKey is HCBVZHULBTWUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-8-7-10-9(11-8)5-3-2-4-6-9/h1,8H,2-7H2.
What are the key properties of CID 59268992?
CID 59268992 has a molecular weight of 154.21 g/mol, XLogP of 1.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59268992 is sourced from PubChem (CID 59268992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).