5-ethenoxy-2,2-dimethylpentanoic acid

C9H16O3 — CID 23167562

IUPAC5-ethenoxy-2,2-dimethylpentanoic acid
SMILESC=COCCCC(C)(C)C(=O)O
InChIInChI=1S/C9H16O3/c1-4-12-7-5-6-9(2,3)8(10)11/h4H,1,5-7H2,2-3H3,(H,10,11)
InChIKeyJUFVLNYOQXECRZ-UHFFFAOYSA-N
MW172.22 g/mol
LogP2.04
Rot. Bonds6

About 5-ethenoxy-2,2-dimethylpentanoic acid

5-ethenoxy-2,2-dimethylpentanoic acid (PubChem CID 23167562) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 5-ethenoxy-2,2-dimethylpentanoic acid.

Molecular Properties

Compound Name5-ethenoxy-2,2-dimethylpentanoic acid
PubChem CID23167562
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name5-ethenoxy-2,2-dimethylpentanoic acid
SMILESC=COCCCC(C)(C)C(=O)O
InChIInChI=1S/C9H16O3/c1-4-12-7-5-6-9(2,3)8(10)11/h4H,1,5-7H2,2-3H3,(H,10,11)
InChIKeyJUFVLNYOQXECRZ-UHFFFAOYSA-N
XLogP2.04
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-ethenoxy-2,2-dimethylpentanoic 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

2,2-dimethyl-5-pent-4-enoxypentanoic acid
CID 79114949
6-(3-methoxypropylsulfanyl)-2,2-dimethylhexanoic acid
CID 106714500
5-(3-methoxy-3-methylbutoxy)-2,2-dimethylpentanoic acid
CID 106668336
(E)-but-2-enedioic acid;1-ethenoxybutane
CID 18004020
azane;5-hydroxy-2,2-dimethylpentanoic acid
CID 172678902
2,2-dimethylhexanoic acid;hydrochloride
CID 87873074
5-[4-[4-(4-carboxy-4-methylpentoxy)phenyl]phenoxy]-2,2-dimethylpentanoic acid
CID 13050541
2,2-dimethyl-7-oxoheptanoic acid
CID 150937186
2,2-dimethyl-4-(prop-2-enoylamino)butanoic acid
CID 174997807
8-(5-carboxy-5-methylhexoxy)-4-ethenyl-2,2-dimethyloctanoic acid
CID 140929040
5-(3-ethenoxypropylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 62932848
6-[(E)-but-2-enoxy]-2,2-dimethylhexanoic acid
CID 106714325

Frequently Asked Questions

What is the IUPAC name of 5-ethenoxy-2,2-dimethylpentanoic acid?
The IUPAC name of 5-ethenoxy-2,2-dimethylpentanoic acid (CID 23167562) is 5-ethenoxy-2,2-dimethylpentanoic acid.
What is the SMILES notation for 5-ethenoxy-2,2-dimethylpentanoic acid?
The canonical SMILES for 5-ethenoxy-2,2-dimethylpentanoic acid is C=COCCCC(C)(C)C(=O)O.
What is the InChIKey of 5-ethenoxy-2,2-dimethylpentanoic acid?
The InChIKey is JUFVLNYOQXECRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-4-12-7-5-6-9(2,3)8(10)11/h4H,1,5-7H2,2-3H3,(H,10,11).
What are the key properties of 5-ethenoxy-2,2-dimethylpentanoic acid?
5-ethenoxy-2,2-dimethylpentanoic acid has a molecular weight of 172.22 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenoxy-2,2-dimethylpentanoic acid is sourced from PubChem (CID 23167562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).