5-hydroxy-2-methylideneundecanoic acid

C12H22O3 — CID 18513428

IUPAC5-hydroxy-2-methylideneundecanoic acid
SMILESC=C(CCC(O)CCCCCC)C(=O)O
InChIInChI=1S/C12H22O3/c1-3-4-5-6-7-11(13)9-8-10(2)12(14)15/h11,13H,2-9H2,1H3,(H,14,15)
InChIKeyLMAOHIOISYQODK-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.74
Rot. Bonds9

About 5-hydroxy-2-methylideneundecanoic acid

5-hydroxy-2-methylideneundecanoic acid (PubChem CID 18513428) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 5-hydroxy-2-methylideneundecanoic acid.

Molecular Properties

Compound Name5-hydroxy-2-methylideneundecanoic acid
PubChem CID18513428
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name5-hydroxy-2-methylideneundecanoic acid
SMILESC=C(CCC(O)CCCCCC)C(=O)O
InChIInChI=1S/C12H22O3/c1-3-4-5-6-7-11(13)9-8-10(2)12(14)15/h11,13H,2-9H2,1H3,(H,14,15)
InChIKeyLMAOHIOISYQODK-UHFFFAOYSA-N
XLogP2.74
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.74
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

ethyl (7R)-7-hydroxy-2-methylidenedodecanoate
CID 15258413
2-Methylidene-4-(oxolan-2-yl)butanoic acid
CID 21894062
7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-Heptadecafluoro-5-hydroxy-2-methylidenetetradecanoic acid
CID 88313780
9-Hydroxy-2-methylidenenonanoic acid
CID 21915873
9-Hydroxy-2-methylideneundecanoic acid
CID 53965181
2-Methylidene-9-(oxiran-2-yl)nonanoic acid
CID 54552593
2-[(2-Hydroxycyclohexyl)methyl]prop-2-enoic acid
CID 69908104
3-(2-Hydroxyethyl)-2-methylidenenonanoic acid
CID 87336377
8-Hydroxy-2-methylideneundecanoic acid
CID 91443089
9-Hydroxy-10-methylundec-10-enoic acid
CID 174457398
(4S,5R,6R,7R,8R)-4,5,6,7,8,9-hexahydroxy-2-methylidenenonanoic acid
CID 10468092
methyl (5R)-5-hydroxy-3-methylidenedecanoate
CID 66552452

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-methylideneundecanoic acid?
The IUPAC name of 5-hydroxy-2-methylideneundecanoic acid (CID 18513428) is 5-hydroxy-2-methylideneundecanoic acid.
What is the SMILES notation for 5-hydroxy-2-methylideneundecanoic acid?
The canonical SMILES for 5-hydroxy-2-methylideneundecanoic acid is C=C(CCC(O)CCCCCC)C(=O)O.
What is the InChIKey of 5-hydroxy-2-methylideneundecanoic acid?
The InChIKey is LMAOHIOISYQODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-3-4-5-6-7-11(13)9-8-10(2)12(14)15/h11,13H,2-9H2,1H3,(H,14,15).
What are the key properties of 5-hydroxy-2-methylideneundecanoic acid?
5-hydroxy-2-methylideneundecanoic acid has a molecular weight of 214.30 g/mol, XLogP of 2.74, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-methylideneundecanoic acid is sourced from PubChem (CID 18513428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).