(E,10R)-10-hydroxyundec-2-enoic acid

C11H20O3 — CID 139031700

IUPAC(E,10R)-10-hydroxyundec-2-enoic acid
SMILESC[C@@H](O)CCCCCC/C=C/C(=O)O
InChIInChI=1S/C11H20O3/c1-10(12)8-6-4-2-3-5-7-9-11(13)14/h7,9-10,12H,2-6,8H2,1H3,(H,13,14)/b9-7+/t10-/m1/s1
InChIKeyOVBXHXJXSMZLSA-TTZKWOQHSA-N
MW200.28 g/mol
LogP2.35
Rot. Bonds8

About (E,10R)-10-hydroxyundec-2-enoic acid

(E,10R)-10-hydroxyundec-2-enoic acid (PubChem CID 139031700) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is (E,10R)-10-hydroxyundec-2-enoic acid.

Molecular Properties

Compound Name(E,10R)-10-hydroxyundec-2-enoic acid
PubChem CID139031700
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name(E,10R)-10-hydroxyundec-2-enoic acid
SMILESC[C@@H](O)CCCCCC/C=C/C(=O)O
InChIInChI=1S/C11H20O3/c1-10(12)8-6-4-2-3-5-7-9-11(13)14/h7,9-10,12H,2-6,8H2,1H3,(H,13,14)/b9-7+/t10-/m1/s1
InChIKeyOVBXHXJXSMZLSA-TTZKWOQHSA-N
XLogP2.35
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

14-methyl-15-oxopentadec-2-enoic acid
CID 163045646
11-hydroxypentadec-2-enoic acid
CID 162983544
10-methylheptadec-2-enoic acid
CID 176885853
12,13-dihydroxyoctadec-2-enoic acid
CID 71343147
14-hydroxyicos-2-enoic acid
CID 54225996
9,10-dihydroxydec-2-enoic acid
CID 74394352
11,12-dihydroxydodec-2-enoic acid
CID 154629729
8-methylhexadec-2-enedioic acid
CID 150047920
ethyl (E)-10-hydroxyundec-2-enoate
CID 11572146
20-methylhenicosa-2,4-dienoic acid
CID 118268246
19-methylicosa-2,4-dienoic acid
CID 170315585
undec-2-enoic acid
CID 519180

Frequently Asked Questions

What is the IUPAC name of (E,10R)-10-hydroxyundec-2-enoic acid?
The IUPAC name of (E,10R)-10-hydroxyundec-2-enoic acid (CID 139031700) is (E,10R)-10-hydroxyundec-2-enoic acid.
What is the SMILES notation for (E,10R)-10-hydroxyundec-2-enoic acid?
The canonical SMILES for (E,10R)-10-hydroxyundec-2-enoic acid is C[C@@H](O)CCCCCC/C=C/C(=O)O.
What is the InChIKey of (E,10R)-10-hydroxyundec-2-enoic acid?
The InChIKey is OVBXHXJXSMZLSA-TTZKWOQHSA-N. The full InChI is InChI=1S/C11H20O3/c1-10(12)8-6-4-2-3-5-7-9-11(13)14/h7,9-10,12H,2-6,8H2,1H3,(H,13,14)/b9-7+/t10-/m1/s1.
What are the key properties of (E,10R)-10-hydroxyundec-2-enoic acid?
(E,10R)-10-hydroxyundec-2-enoic acid has a molecular weight of 200.28 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,10R)-10-hydroxyundec-2-enoic acid is sourced from PubChem (CID 139031700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).