(E)-2-methylnon-2-enedioic acid

C10H16O4 — CID 87072449

IUPAC(E)-2-methylnon-2-enedioic acid
SMILESC/C(=C\CCCCCC(=O)O)C(=O)O
InChIInChI=1S/C10H16O4/c1-8(10(13)14)6-4-2-3-5-7-9(11)12/h6H,2-5,7H2,1H3,(H,11,12)(H,13,14)/b8-6+
InChIKeyIWTYEBBGBCKQFN-SOFGYWHQSA-N
MW200.23 g/mol
LogP2.05
Rot. Bonds7

About (E)-2-methylnon-2-enedioic acid

(E)-2-methylnon-2-enedioic acid (PubChem CID 87072449) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is (E)-2-methylnon-2-enedioic acid.

Molecular Properties

Compound Name(E)-2-methylnon-2-enedioic acid
PubChem CID87072449
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name(E)-2-methylnon-2-enedioic acid
SMILESC/C(=C\CCCCCC(=O)O)C(=O)O
InChIInChI=1S/C10H16O4/c1-8(10(13)14)6-4-2-3-5-7-9(11)12/h6H,2-5,7H2,1H3,(H,11,12)(H,13,14)/b8-6+
InChIKeyIWTYEBBGBCKQFN-SOFGYWHQSA-N
XLogP2.05
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-2-methylnon-2-enedioic acid 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

2,13-dimethyltetradeca-2,12-dienedioic acid
CID 173279289
hexanedioic acid;2,6,6-trimethylhept-2-enoic acid
CID 88667557
2-methylhentriacont-2-enoic acid
CID 141160211
(Z)-2-methylnon-2-enoic acid
CID 19098031
(E)-2-methylnonacos-2-enoic acid
CID 87108662
8-amino-2-methyloct-2-enoic acid
CID 90963841
2-methylheptadec-2-enoic acid;hydrofluoride
CID 174883773
(E)-7-bromo-2-methylhept-2-enoic acid
CID 87183825
(2E,12E)-2-methylhenicosa-2,12-dienoic acid
CID 87122533
2-methylhenicosa-2,12-dienoic acid
CID 73411111
9-[3-(8-carboxy-2-methyloct-2-enoyl)oxy-2,2-bis[(8-carboxy-2-methyloct-2-enoyl)oxymethyl]propoxy]-8-methyl-9-oxonon-7-enoic acid
CID 139813750
11-(aziridin-1-yl)-2-methylundec-2-enoic acid
CID 123246956

Frequently Asked Questions

What is the IUPAC name of (E)-2-methylnon-2-enedioic acid?
The IUPAC name of (E)-2-methylnon-2-enedioic acid (CID 87072449) is (E)-2-methylnon-2-enedioic acid.
What is the SMILES notation for (E)-2-methylnon-2-enedioic acid?
The canonical SMILES for (E)-2-methylnon-2-enedioic acid is C/C(=C\CCCCCC(=O)O)C(=O)O.
What is the InChIKey of (E)-2-methylnon-2-enedioic acid?
The InChIKey is IWTYEBBGBCKQFN-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H16O4/c1-8(10(13)14)6-4-2-3-5-7-9(11)12/h6H,2-5,7H2,1H3,(H,11,12)(H,13,14)/b8-6+.
What are the key properties of (E)-2-methylnon-2-enedioic acid?
(E)-2-methylnon-2-enedioic acid has a molecular weight of 200.23 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methylnon-2-enedioic acid is sourced from PubChem (CID 87072449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).