CID 59967782

C11H16O4 — CID 59967782

IUPAC—
SMILES[CH]/C(C)=C/CCC(C)C(C(=O)O)C(=O)O
InChIInChI=1S/C11H16O4/c1-7(2)5-4-6-8(3)9(10(12)13)11(14)15/h1,5,8-9H,4,6H2,2-3H3,(H,12,13)(H,14,15)/b7-5-
InChIKeyZWLCIKHOVIVFFT-ALCCZGGFSA-N
MW212.24 g/mol
LogP1.85
Rot. Bonds6

About CID 59967782

CID 59967782 (PubChem CID 59967782) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol.

Molecular Properties

Compound NameCID 59967782
PubChem CID59967782
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name—
SMILES[CH]/C(C)=C/CCC(C)C(C(=O)O)C(=O)O
InChIInChI=1S/C11H16O4/c1-7(2)5-4-6-8(3)9(10(12)13)11(14)15/h1,5,8-9H,4,6H2,2-3H3,(H,12,13)(H,14,15)/b7-5-
InChIKeyZWLCIKHOVIVFFT-ALCCZGGFSA-N
XLogP1.85
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze CID 59967782 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

2-[(2S)-hex-5-en-2-yl]propanedioic acid
CID 172869361
2-pentan-2-ylpropanedioic acid
CID 11469359
3,7-dimethyl-2-propyloct-6-enoic acid
CID 91153556
2-[(2R)-butan-2-yl]propanedioic acid
CID 51381327
CID 59967777
CID 59967777
2-nonadecan-2-ylpropanedioic acid
CID 22179077
potassium;2-heptan-2-ylpropanedioic acid;hydride
CID 175224812
2-(1-hydroxyethyl)-6-methylhept-5-enoic acid
CID 54182717
2,3-dihydroxy-7-methyloct-6-enoic acid
CID 142634036
2-(1-cyanopropan-2-yl)propanedioic acid
CID 118982124
(5E)-2,6,10-trimethylundeca-5,9-dienoic acid
CID 10036589
5,9-dimethyl-2-propan-2-yldec-8-enoic acid
CID 87889859

Frequently Asked Questions

What is the IUPAC name of CID 59967782?
The IUPAC name of CID 59967782 (CID 59967782) is not available.
What is the SMILES notation for CID 59967782?
The canonical SMILES for CID 59967782 is [CH]/C(C)=C/CCC(C)C(C(=O)O)C(=O)O.
What is the InChIKey of CID 59967782?
The InChIKey is ZWLCIKHOVIVFFT-ALCCZGGFSA-N. The full InChI is InChI=1S/C11H16O4/c1-7(2)5-4-6-8(3)9(10(12)13)11(14)15/h1,5,8-9H,4,6H2,2-3H3,(H,12,13)(H,14,15)/b7-5-.
What are the key properties of CID 59967782?
CID 59967782 has a molecular weight of 212.24 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59967782 is sourced from PubChem (CID 59967782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).