9-hydroxy-5,9-dimethyldecanoic acid

C12H24O3 — CID 170558406

IUPAC9-hydroxy-5,9-dimethyldecanoic acid
SMILESCC(CCCC(=O)O)CCCC(C)(C)O
InChIInChI=1S/C12H24O3/c1-10(6-4-8-11(13)14)7-5-9-12(2,3)15/h10,15H,4-9H2,1-3H3,(H,13,14)
InChIKeyRVNQRBJWJJFGQJ-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.82
Rot. Bonds8

About 9-hydroxy-5,9-dimethyldecanoic acid

9-hydroxy-5,9-dimethyldecanoic acid (PubChem CID 170558406) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is 9-hydroxy-5,9-dimethyldecanoic acid.

Molecular Properties

Compound Name9-hydroxy-5,9-dimethyldecanoic acid
PubChem CID170558406
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name9-hydroxy-5,9-dimethyldecanoic acid
SMILESCC(CCCC(=O)O)CCCC(C)(C)O
InChIInChI=1S/C12H24O3/c1-10(6-4-8-11(13)14)7-5-9-12(2,3)15/h10,15H,4-9H2,1-3H3,(H,13,14)
InChIKeyRVNQRBJWJJFGQJ-UHFFFAOYSA-N
XLogP2.82
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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acetic acid;5,7,7-trimethyloctanoic acid
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9-amino-2,6-dimethylnonan-2-ol
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5-chlorohexanoic acid
CID 18541668
4-methylhexadecanedioic acid;dihydrochloride
CID 89463142
12,17-dimethyloctadecanoic acid
CID 123475021
12-methylicosanoic acid
CID 15736271
9-methylpentadecanoic acid
CID 22251894
(11S)-11-methylhexadecanoic acid
CID 162980930
8-methylhexadecanoic acid
CID 5312298

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-5,9-dimethyldecanoic acid?
The IUPAC name of 9-hydroxy-5,9-dimethyldecanoic acid (CID 170558406) is 9-hydroxy-5,9-dimethyldecanoic acid.
What is the SMILES notation for 9-hydroxy-5,9-dimethyldecanoic acid?
The canonical SMILES for 9-hydroxy-5,9-dimethyldecanoic acid is CC(CCCC(=O)O)CCCC(C)(C)O.
What is the InChIKey of 9-hydroxy-5,9-dimethyldecanoic acid?
The InChIKey is RVNQRBJWJJFGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3/c1-10(6-4-8-11(13)14)7-5-9-12(2,3)15/h10,15H,4-9H2,1-3H3,(H,13,14).
What are the key properties of 9-hydroxy-5,9-dimethyldecanoic acid?
9-hydroxy-5,9-dimethyldecanoic acid has a molecular weight of 216.32 g/mol, XLogP of 2.82, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-5,9-dimethyldecanoic acid is sourced from PubChem (CID 170558406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).