10-(2-decylcyclopropyl)-2-hydroxydec-5-enoic acid

C23H42O3 — CID 72752348

IUPAC10-(2-decylcyclopropyl)-2-hydroxydec-5-enoic acid
SMILESCCCCCCCCCCC1CC1CCCCC=CCCC(O)C(=O)O
InChIInChI=1S/C23H42O3/c1-2-3-4-5-6-7-10-13-16-20-19-21(20)17-14-11-8-9-12-15-18-22(24)23(25)26/h9,12,20-22,24H,2-8,10-11,13-19H2,1H3,(H,25,26)
InChIKeyZGQYCZWZSZFDPS-UHFFFAOYSA-N
MW366.59 g/mol
LogP6.50
Rot. Bonds18

About 10-(2-decylcyclopropyl)-2-hydroxydec-5-enoic acid

10-(2-decylcyclopropyl)-2-hydroxydec-5-enoic acid (PubChem CID 72752348) has the molecular formula C23H42O3 and a molecular weight of 366.59 g/mol. Its IUPAC name is 10-(2-decylcyclopropyl)-2-hydroxydec-5-enoic acid.

Molecular Properties

Compound Name10-(2-decylcyclopropyl)-2-hydroxydec-5-enoic acid
PubChem CID72752348
Molecular FormulaC23H42O3
Molecular Weight366.59 g/mol
Exact Mass366.31
IUPAC Name10-(2-decylcyclopropyl)-2-hydroxydec-5-enoic acid
SMILESCCCCCCCCCCC1CC1CCCCC=CCCC(O)C(=O)O
InChIInChI=1S/C23H42O3/c1-2-3-4-5-6-7-10-13-16-20-19-21(20)17-14-11-8-9-12-15-18-22(24)23(25)26/h9,12,20-22,24H,2-8,10-11,13-19H2,1H3,(H,25,26)
InChIKeyZGQYCZWZSZFDPS-UHFFFAOYSA-N
XLogP6.50
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.59
LogP ≤ 56.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 10-(2-decylcyclopropyl)-2-hydroxydec-5-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-hydroxydocos-5-enoic acid
CID 139910462
2-[14-(2-hexatriacont-15-enylcyclopropyl)-1-hydroxytetradecyl]hexacosanoic acid
CID 162821800
(Z)-2-hydroxyheptadec-8-enoic acid
CID 139771523
(Z,2R)-2-hydroxytricos-14-enoic acid
CID 162876154
(E)-2-hydroxyicos-11-enoic acid
CID 87314905
(E)-2-hydroxydocos-13-enoic acid
CID 18923931
2-hydroxydocosa-9,13-dienoic acid
CID 139771533
(2S,5E,8E,10E,14E)-2-hydroxyicosa-5,8,10,14-tetraenoic acid
CID 87630755
(Z)-2-hydroxydodec-4-enoic acid
CID 134931228
(Z)-hexadec-9-enoic acid;2-hydroxyhexadecanoic acid
CID 90010224
(2R)-2-[(1R)-1-hydroxy-18-[2-[10-(2-octadecylcyclopropyl)decyl]cyclopropyl]octadecyl]hexacosanoic acid
CID 91972226
2-hydroxy-7-[(1R,2R)-2-[(E)-oct-1-enyl]-3,5-dioxocyclopentyl]heptanoic acid
CID 91873511

Frequently Asked Questions

What is the IUPAC name of 10-(2-decylcyclopropyl)-2-hydroxydec-5-enoic acid?
The IUPAC name of 10-(2-decylcyclopropyl)-2-hydroxydec-5-enoic acid (CID 72752348) is 10-(2-decylcyclopropyl)-2-hydroxydec-5-enoic acid.
What is the SMILES notation for 10-(2-decylcyclopropyl)-2-hydroxydec-5-enoic acid?
The canonical SMILES for 10-(2-decylcyclopropyl)-2-hydroxydec-5-enoic acid is CCCCCCCCCCC1CC1CCCCC=CCCC(O)C(=O)O.
What is the InChIKey of 10-(2-decylcyclopropyl)-2-hydroxydec-5-enoic acid?
The InChIKey is ZGQYCZWZSZFDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42O3/c1-2-3-4-5-6-7-10-13-16-20-19-21(20)17-14-11-8-9-12-15-18-22(24)23(25)26/h9,12,20-22,24H,2-8,10-11,13-19H2,1H3,(H,25,26).
What are the key properties of 10-(2-decylcyclopropyl)-2-hydroxydec-5-enoic acid?
10-(2-decylcyclopropyl)-2-hydroxydec-5-enoic acid has a molecular weight of 366.59 g/mol, XLogP of 6.50, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-decylcyclopropyl)-2-hydroxydec-5-enoic acid is sourced from PubChem (CID 72752348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).