(2Z)-2-(1-hydroxyethylidene)hexanoic acid

C8H14O3 — CID 54715870

IUPAC(2Z)-2-(1-hydroxyethylidene)hexanoic acid
SMILESCCCC/C(C(=O)O)=C(\C)O
InChIInChI=1S/C8H14O3/c1-3-4-5-7(6(2)9)8(10)11/h9H,3-5H2,1-2H3,(H,10,11)/b7-6-
InChIKeyGXQJXUIDCMOCCU-SREVYHEPSA-N
MW158.20 g/mol
LogP2.09
Rot. Bonds4

About (2Z)-2-(1-hydroxyethylidene)hexanoic acid

(2Z)-2-(1-hydroxyethylidene)hexanoic acid (PubChem CID 54715870) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is (2Z)-2-(1-hydroxyethylidene)hexanoic acid.

Molecular Properties

Compound Name(2Z)-2-(1-hydroxyethylidene)hexanoic acid
PubChem CID54715870
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name(2Z)-2-(1-hydroxyethylidene)hexanoic acid
SMILESCCCC/C(C(=O)O)=C(\C)O
InChIInChI=1S/C8H14O3/c1-3-4-5-7(6(2)9)8(10)11/h9H,3-5H2,1-2H3,(H,10,11)/b7-6-
InChIKeyGXQJXUIDCMOCCU-SREVYHEPSA-N
XLogP2.09
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3Z)-3-(1-hydroxyethylidene)heptan-2-one;(2Z)-2-(1-hydroxyethylidene)hexanoic acid;oxovanadium
CID 54715869
(Z)-2-butyl-3-methylbut-2-enedioic acid
CID 19039252
2-butyl-3-octylbut-2-enedioic acid
CID 54144234
(E)-2,3-dioctadecylbut-2-enedioic acid
CID 87238050
2-butan-2-ylideneoctanoic acid
CID 173391437
(Z)-2-methyl-3-undecylbut-2-enedioic acid
CID 142696116
2-butyl-3,7-dimethylocta-2,6-dienoic acid
CID 90775093
3-methylhept-2-en-2-ol
CID 73309482
carbonic acid;2,3-dimethylhept-2-ene
CID 159232241
2-(1,2,2,2-tetrachloroethylidene)hexanoic acid
CID 173169769
acetic acid;pentanoic acid
CID 87061456
4,5-dibutyloct-4-ene-3,6-dione
CID 142732259

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(1-hydroxyethylidene)hexanoic acid?
The IUPAC name of (2Z)-2-(1-hydroxyethylidene)hexanoic acid (CID 54715870) is (2Z)-2-(1-hydroxyethylidene)hexanoic acid.
What is the SMILES notation for (2Z)-2-(1-hydroxyethylidene)hexanoic acid?
The canonical SMILES for (2Z)-2-(1-hydroxyethylidene)hexanoic acid is CCCC/C(C(=O)O)=C(\C)O.
What is the InChIKey of (2Z)-2-(1-hydroxyethylidene)hexanoic acid?
The InChIKey is GXQJXUIDCMOCCU-SREVYHEPSA-N. The full InChI is InChI=1S/C8H14O3/c1-3-4-5-7(6(2)9)8(10)11/h9H,3-5H2,1-2H3,(H,10,11)/b7-6-.
What are the key properties of (2Z)-2-(1-hydroxyethylidene)hexanoic acid?
(2Z)-2-(1-hydroxyethylidene)hexanoic acid has a molecular weight of 158.20 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(1-hydroxyethylidene)hexanoic acid is sourced from PubChem (CID 54715870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).