CID 59964377

C9H14O3 — CID 59964377

IUPAC—
SMILES[CH]CCCCC(=O)CCC(=O)O
InChIInChI=1S/C9H14O3/c1-2-3-4-5-8(10)6-7-9(11)12/h1H,2-7H2,(H,11,12)
InChIKeyITVJKDYAOIDFLA-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.69
Rot. Bonds7

About CID 59964377

CID 59964377 (PubChem CID 59964377) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol.

Molecular Properties

Compound NameCID 59964377
PubChem CID59964377
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name—
SMILES[CH]CCCCC(=O)CCC(=O)O
InChIInChI=1S/C9H14O3/c1-2-3-4-5-8(10)6-7-9(11)12/h1H,2-7H2,(H,11,12)
InChIKeyITVJKDYAOIDFLA-UHFFFAOYSA-N
XLogP1.69
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 59964377 with MolForge

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

Launch Full Analysis

Related Compounds

5,8,11,14-tetraoxooctadecanedioic acid
CID 57306200
4,9-dioxodecanoic acid
CID 87255764
9-hydroxy-4-oxononanoic acid
CID 159708655
4,7-dioxoundecanoic acid
CID 165359282
12-amino-7-oxododecanoic acid
CID 4206597
8-hydroxy-6-oxooctanoic acid
CID 22280337
7-bromo-6-oxoheptanoic acid
CID 57379211
butanedioic acid;decanedioic acid;hexanedioic acid;octanedioic acid
CID 157217252
butanedioic acid;decanedioic acid;hexanedioic acid
CID 137367158
6,8-dioxotridecanedioic acid
CID 59648927
6,19-dioxononadecanoic acid
CID 174486192
9,12-dioxododecanoic acid
CID 5312888

Frequently Asked Questions

What is the IUPAC name of CID 59964377?
The IUPAC name of CID 59964377 (CID 59964377) is not available.
What is the SMILES notation for CID 59964377?
The canonical SMILES for CID 59964377 is [CH]CCCCC(=O)CCC(=O)O.
What is the InChIKey of CID 59964377?
The InChIKey is ITVJKDYAOIDFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-2-3-4-5-8(10)6-7-9(11)12/h1H,2-7H2,(H,11,12).
What are the key properties of CID 59964377?
CID 59964377 has a molecular weight of 170.21 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59964377 is sourced from PubChem (CID 59964377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).