(Z)-2-methylnon-2-enoic acid

C10H18O2 — CID 19098031

IUPAC(Z)-2-methylnon-2-enoic acid
SMILESCCCCCC/C=C(/C)C(=O)O
InChIInChI=1S/C10H18O2/c1-3-4-5-6-7-8-9(2)10(11)12/h8H,3-7H2,1-2H3,(H,11,12)/b9-8-
InChIKeyCPWJZWLDRWODFP-HJWRWDBZSA-N
MW170.25 g/mol
LogP2.99
Rot. Bonds6

About (Z)-2-methylnon-2-enoic acid

(Z)-2-methylnon-2-enoic acid (PubChem CID 19098031) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (Z)-2-methylnon-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-methylnon-2-enoic acid
PubChem CID19098031
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(Z)-2-methylnon-2-enoic acid
SMILESCCCCCC/C=C(/C)C(=O)O
InChIInChI=1S/C10H18O2/c1-3-4-5-6-7-8-9(2)10(11)12/h8H,3-7H2,1-2H3,(H,11,12)/b9-8-
InChIKeyCPWJZWLDRWODFP-HJWRWDBZSA-N
XLogP2.99
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-2-methylnon-2-enoic 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

(E)-2-methylnonacos-2-enoic acid
CID 87108662
2-methylhentriacont-2-enoic acid
CID 141160211
2-methylheptadec-2-enoic acid;hydrofluoride
CID 174883773
(2E,12E)-2-methylhenicosa-2,12-dienoic acid
CID 87122533
2-methylhenicosa-2,12-dienoic acid
CID 73411111
2,13-dimethyltetradeca-2,12-dienedioic acid
CID 173279289
2-methylpentacos-2-enoic acid;prop-2-enoic acid
CID 158192542
N,N-dimethylformamide;2-methyloct-2-enoic acid
CID 161449780
(2E,11E,14E)-2-methylhenicosa-2,11,14-trienoic acid
CID 88938967
2,8-dimethylhexadec-2-enoic acid
CID 90737317
2,2-dimethylpropanoic acid;2-methyloct-2-enoic acid;hydrochloride
CID 172860299
butyl acetate;2-methylhenicos-2-enoic acid
CID 174757296

Frequently Asked Questions

What is the IUPAC name of (Z)-2-methylnon-2-enoic acid?
The IUPAC name of (Z)-2-methylnon-2-enoic acid (CID 19098031) is (Z)-2-methylnon-2-enoic acid.
What is the SMILES notation for (Z)-2-methylnon-2-enoic acid?
The canonical SMILES for (Z)-2-methylnon-2-enoic acid is CCCCCC/C=C(/C)C(=O)O.
What is the InChIKey of (Z)-2-methylnon-2-enoic acid?
The InChIKey is CPWJZWLDRWODFP-HJWRWDBZSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-4-5-6-7-8-9(2)10(11)12/h8H,3-7H2,1-2H3,(H,11,12)/b9-8-.
What are the key properties of (Z)-2-methylnon-2-enoic acid?
(Z)-2-methylnon-2-enoic acid has a molecular weight of 170.25 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methylnon-2-enoic acid is sourced from PubChem (CID 19098031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).