(Z,11R)-11-hydroxy-11-[(2R,3R)-3-pentyloxiran-2-yl]undec-9-enoic acid

C18H32O4 — CID 102387704

IUPAC(Z,11R)-11-hydroxy-11-[(2R,3R)-3-pentyloxiran-2-yl]undec-9-enoic acid
SMILESCCCCC[C@H]1O[C@@H]1[C@H](O)/C=C\CCCCCCCC(=O)O
InChIInChI=1S/C18H32O4/c1-2-3-9-13-16-18(22-16)15(19)12-10-7-5-4-6-8-11-14-17(20)21/h10,12,15-16,18-19H,2-9,11,13-14H2,1H3,(H,20,21)/b12-10-/t15-,16-,18-/m1/s1
InChIKeyUZCLYICSWADYGM-RFHJCYQOSA-N
MW312.45 g/mol
LogP4.07
Rot. Bonds14

About (Z,11R)-11-hydroxy-11-[(2R,3R)-3-pentyloxiran-2-yl]undec-9-enoic acid

(Z,11R)-11-hydroxy-11-[(2R,3R)-3-pentyloxiran-2-yl]undec-9-enoic acid (PubChem CID 102387704) has the molecular formula C18H32O4 and a molecular weight of 312.45 g/mol. Its IUPAC name is (Z,11R)-11-hydroxy-11-[(2R,3R)-3-pentyloxiran-2-yl]undec-9-enoic acid.

Molecular Properties

Compound Name(Z,11R)-11-hydroxy-11-[(2R,3R)-3-pentyloxiran-2-yl]undec-9-enoic acid
PubChem CID102387704
Molecular FormulaC18H32O4
Molecular Weight312.45 g/mol
Exact Mass312.23
IUPAC Name(Z,11R)-11-hydroxy-11-[(2R,3R)-3-pentyloxiran-2-yl]undec-9-enoic acid
SMILESCCCCC[C@H]1O[C@@H]1[C@H](O)/C=C\CCCCCCCC(=O)O
InChIInChI=1S/C18H32O4/c1-2-3-9-13-16-18(22-16)15(19)12-10-7-5-4-6-8-11-14-17(20)21/h10,12,15-16,18-19H,2-9,11,13-14H2,1H3,(H,20,21)/b12-10-/t15-,16-,18-/m1/s1
InChIKeyUZCLYICSWADYGM-RFHJCYQOSA-N
XLogP4.07
TPSA70.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z,11R)-11-hydroxy-11-[(2R,3R)-3-pentyloxiran-2-yl]undec-9-enoic acid with MolForge

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Launch Full Analysis

Related Compounds

4-[3-[(Z)-1-hydroxydodec-2-enyl]oxiran-2-yl]butanoic acid
CID 156679528
(Z)-13-[(2R,3R)-3-pentyloxiran-2-yl]tridec-8-enoic acid
CID 35028451
(Z)-8-[3-[3-[(Z,1R)-1-hydroxyoct-2-enyl]oxiran-2-yl]oxiran-2-yl]oct-5-enoic acid
CID 171119147
(Z)-13-[(2R,3S)-3-pentyloxiran-2-yl]tridec-5-enoic acid
CID 35026353
(E,12R)-12-hydroxyheptadec-10-enoic acid
CID 129382398
(E,13R)-13-hydroxyoctadec-11-enoic acid
CID 56935869
(Z,16R)-16-hydroxyhenicos-14-enoic acid
CID 11439238
(Z)-11-(3-pentyloxiran-2-yl)undec-9-enoic acid
CID 5356421
(E)-10-(3-hexyloxiran-2-yl)dec-9-enoic acid
CID 6441745
(10S,11S)-10,11-dihydroxyoctadeca-8,12-dienoic acid
CID 162998890
9-methylnonadec-10-enoic acid
CID 57288184
9-[(2S,3S)-3-heptyloxiran-2-yl]nonanoic acid
CID 98092610

Frequently Asked Questions

What is the IUPAC name of (Z,11R)-11-hydroxy-11-[(2R,3R)-3-pentyloxiran-2-yl]undec-9-enoic acid?
The IUPAC name of (Z,11R)-11-hydroxy-11-[(2R,3R)-3-pentyloxiran-2-yl]undec-9-enoic acid (CID 102387704) is (Z,11R)-11-hydroxy-11-[(2R,3R)-3-pentyloxiran-2-yl]undec-9-enoic acid.
What is the SMILES notation for (Z,11R)-11-hydroxy-11-[(2R,3R)-3-pentyloxiran-2-yl]undec-9-enoic acid?
The canonical SMILES for (Z,11R)-11-hydroxy-11-[(2R,3R)-3-pentyloxiran-2-yl]undec-9-enoic acid is CCCCC[C@H]1O[C@@H]1[C@H](O)/C=C\CCCCCCCC(=O)O.
What is the InChIKey of (Z,11R)-11-hydroxy-11-[(2R,3R)-3-pentyloxiran-2-yl]undec-9-enoic acid?
The InChIKey is UZCLYICSWADYGM-RFHJCYQOSA-N. The full InChI is InChI=1S/C18H32O4/c1-2-3-9-13-16-18(22-16)15(19)12-10-7-5-4-6-8-11-14-17(20)21/h10,12,15-16,18-19H,2-9,11,13-14H2,1H3,(H,20,21)/b12-10-/t15-,16-,18-/m1/s1.
What are the key properties of (Z,11R)-11-hydroxy-11-[(2R,3R)-3-pentyloxiran-2-yl]undec-9-enoic acid?
(Z,11R)-11-hydroxy-11-[(2R,3R)-3-pentyloxiran-2-yl]undec-9-enoic acid has a molecular weight of 312.45 g/mol, XLogP of 4.07, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,11R)-11-hydroxy-11-[(2R,3R)-3-pentyloxiran-2-yl]undec-9-enoic acid is sourced from PubChem (CID 102387704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).