9-hydroxy-10-methylundec-10-enoic acid

C12H22O3 — CID 174457398

IUPAC9-hydroxy-10-methylundec-10-enoic acid
SMILESC=C(C)C(O)CCCCCCCC(=O)O
InChIInChI=1S/C12H22O3/c1-10(2)11(13)8-6-4-3-5-7-9-12(14)15/h11,13H,1,3-9H2,2H3,(H,14,15)
InChIKeyQDQRFMBNCYVARO-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.74
Rot. Bonds9

About 9-hydroxy-10-methylundec-10-enoic acid

9-hydroxy-10-methylundec-10-enoic acid (PubChem CID 174457398) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 9-hydroxy-10-methylundec-10-enoic acid.

Molecular Properties

Compound Name9-hydroxy-10-methylundec-10-enoic acid
PubChem CID174457398
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name9-hydroxy-10-methylundec-10-enoic acid
SMILESC=C(C)C(O)CCCCCCCC(=O)O
InChIInChI=1S/C12H22O3/c1-10(2)11(13)8-6-4-3-5-7-9-12(14)15/h11,13H,1,3-9H2,2H3,(H,14,15)
InChIKeyQDQRFMBNCYVARO-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

11-Hydroxy-9-tridecenoic acid
CID 5318367
9-hydroxyundec-10-enoic Acid
CID 10465398
(3R,6R)-6-hydroxy-3-isopropenylheptanoate
CID 25201562
(3S,6R)-6-hydroxy-3-isopropenylheptanoate
CID 25245389
Pantheric acid D
CID 170990538
Pantheric acid E
CID 170990539
Pantheric acid F
CID 170990540
6-Hydroxy-3-isopropenylheptanoic acid
CID 4488499
2-decyl acrylic Acid
CID 5282682
(S)-9-Hydroxy-10-undecenoic acid
CID 73242170
Pitinoic acid A
CID 72164849
6-Hydroxy-3-isopropenylheptanoate
CID 4488498

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-10-methylundec-10-enoic acid?
The IUPAC name of 9-hydroxy-10-methylundec-10-enoic acid (CID 174457398) is 9-hydroxy-10-methylundec-10-enoic acid.
What is the SMILES notation for 9-hydroxy-10-methylundec-10-enoic acid?
The canonical SMILES for 9-hydroxy-10-methylundec-10-enoic acid is C=C(C)C(O)CCCCCCCC(=O)O.
What is the InChIKey of 9-hydroxy-10-methylundec-10-enoic acid?
The InChIKey is QDQRFMBNCYVARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-10(2)11(13)8-6-4-3-5-7-9-12(14)15/h11,13H,1,3-9H2,2H3,(H,14,15).
What are the key properties of 9-hydroxy-10-methylundec-10-enoic acid?
9-hydroxy-10-methylundec-10-enoic 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 9-hydroxy-10-methylundec-10-enoic acid is sourced from PubChem (CID 174457398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).