2-hydroxy-2-pentoxypent-4-enoic acid

C10H18O4 — CID 87293099

IUPAC2-hydroxy-2-pentoxypent-4-enoic acid
SMILESC=CCC(O)(OCCCCC)C(=O)O
InChIInChI=1S/C10H18O4/c1-3-5-6-8-14-10(13,7-4-2)9(11)12/h4,13H,2-3,5-8H2,1H3,(H,11,12)
InChIKeyALAUEQFUJUELHD-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.54
Rot. Bonds8

About 2-hydroxy-2-pentoxypent-4-enoic acid

2-hydroxy-2-pentoxypent-4-enoic acid (PubChem CID 87293099) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-hydroxy-2-pentoxypent-4-enoic acid.

Molecular Properties

Compound Name2-hydroxy-2-pentoxypent-4-enoic acid
PubChem CID87293099
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name2-hydroxy-2-pentoxypent-4-enoic acid
SMILESC=CCC(O)(OCCCCC)C(=O)O
InChIInChI=1S/C10H18O4/c1-3-5-6-8-14-10(13,7-4-2)9(11)12/h4,13H,2-3,5-8H2,1H3,(H,11,12)
InChIKeyALAUEQFUJUELHD-UHFFFAOYSA-N
XLogP1.54
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-hydroxy-2-pentoxypent-4-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

2-methyl-2-pentoxycarbonylpent-4-enoic acid
CID 175563295
2-fluoro-2-prop-2-enyloctadecanoic acid
CID 87607806
dipentyl 2-methyl-2-prop-2-enylpropanedioate
CID 171777546
2-hexoxy-2-methylpropanoic acid
CID 114989010
2,2-didecoxypropanoic acid
CID 101272673
pentyl 2-(hydroxymethyl)-2-prop-2-enylpent-4-enoate
CID 87378162
2-decoxy-2-ethylbutanoic acid
CID 138578040
carbonic acid;1-pentoxypentane-1,1-diol
CID 89387830
dipentyl 2-butyl-2-prop-2-enylpropanedioate
CID 141391860
2-methyl-2-nonadecoxybutanoic acid
CID 88680932
2-heptoxy-2-methylbutanoic acid
CID 19807820
1-chloropentane;2-hydroxy-2-prop-2-enylbutanedioic acid
CID 174507210

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-pentoxypent-4-enoic acid?
The IUPAC name of 2-hydroxy-2-pentoxypent-4-enoic acid (CID 87293099) is 2-hydroxy-2-pentoxypent-4-enoic acid.
What is the SMILES notation for 2-hydroxy-2-pentoxypent-4-enoic acid?
The canonical SMILES for 2-hydroxy-2-pentoxypent-4-enoic acid is C=CCC(O)(OCCCCC)C(=O)O.
What is the InChIKey of 2-hydroxy-2-pentoxypent-4-enoic acid?
The InChIKey is ALAUEQFUJUELHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-3-5-6-8-14-10(13,7-4-2)9(11)12/h4,13H,2-3,5-8H2,1H3,(H,11,12).
What are the key properties of 2-hydroxy-2-pentoxypent-4-enoic acid?
2-hydroxy-2-pentoxypent-4-enoic acid has a molecular weight of 202.25 g/mol, XLogP of 1.54, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-pentoxypent-4-enoic acid is sourced from PubChem (CID 87293099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).