(2Z)-2-(hydroxymethylidene)heptanoic acid

C8H14O3 — CID 23213326

IUPAC(2Z)-2-(hydroxymethylidene)heptanoic acid
SMILESCCCCC/C(=C/O)C(=O)O
InChIInChI=1S/C8H14O3/c1-2-3-4-5-7(6-9)8(10)11/h6,9H,2-5H2,1H3,(H,10,11)/b7-6-
InChIKeyRDWGCVAYFGAGHZ-SREVYHEPSA-N
MW158.20 g/mol
LogP2.09
Rot. Bonds5

About (2Z)-2-(hydroxymethylidene)heptanoic acid

(2Z)-2-(hydroxymethylidene)heptanoic acid (PubChem CID 23213326) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is (2Z)-2-(hydroxymethylidene)heptanoic acid.

Molecular Properties

Compound Name(2Z)-2-(hydroxymethylidene)heptanoic acid
PubChem CID23213326
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name(2Z)-2-(hydroxymethylidene)heptanoic acid
SMILESCCCCC/C(=C/O)C(=O)O
InChIInChI=1S/C8H14O3/c1-2-3-4-5-7(6-9)8(10)11/h6,9H,2-5H2,1H3,(H,10,11)/b7-6-
InChIKeyRDWGCVAYFGAGHZ-SREVYHEPSA-N
XLogP2.09
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_D(5)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2Z)-2-(hydroxymethylidene)heptanoic 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-(hydroxymethylidene)hexanoic acid
CID 87593168
(2E)-2-(hydroxymethylidene)pentanoic acid
CID 88655621
(2Z)-2-ethylideneicosanoic acid
CID 130276561
acetic acid;(2Z)-2-ethylideneheptanoic acid
CID 87790702
acetic acid;2-ethylideneheptanoic acid
CID 161103841
(Z)-2-decylbut-2-enedioic acid
CID 18386424
(E)-2-octyldec-2-enoic acid
CID 87824483
2-octylundec-2-enoic acid
CID 87266721
2-octylpent-2-enedioic acid
CID 78151404
sodium;(Z)-2-hexadecylbut-2-enedioic acid;hydride
CID 173462321
2-(ethoxymethylidene)heptanoic acid
CID 173058397
2-carboxyoct-1-enyl-hydroxy-oxophosphanium
CID 173403796

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(hydroxymethylidene)heptanoic acid?
The IUPAC name of (2Z)-2-(hydroxymethylidene)heptanoic acid (CID 23213326) is (2Z)-2-(hydroxymethylidene)heptanoic acid.
What is the SMILES notation for (2Z)-2-(hydroxymethylidene)heptanoic acid?
The canonical SMILES for (2Z)-2-(hydroxymethylidene)heptanoic acid is CCCCC/C(=C/O)C(=O)O.
What is the InChIKey of (2Z)-2-(hydroxymethylidene)heptanoic acid?
The InChIKey is RDWGCVAYFGAGHZ-SREVYHEPSA-N. The full InChI is InChI=1S/C8H14O3/c1-2-3-4-5-7(6-9)8(10)11/h6,9H,2-5H2,1H3,(H,10,11)/b7-6-.
What are the key properties of (2Z)-2-(hydroxymethylidene)heptanoic acid?
(2Z)-2-(hydroxymethylidene)heptanoic acid has a molecular weight of 158.20 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(hydroxymethylidene)heptanoic acid is sourced from PubChem (CID 23213326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).