5-hydroxy-5,6,6-trimethylheptanoic acid

C10H20O3 — CID 139885308

IUPAC5-hydroxy-5,6,6-trimethylheptanoic acid
SMILESCC(C)(C)C(C)(O)CCCC(=O)O
InChIInChI=1S/C10H20O3/c1-9(2,3)10(4,13)7-5-6-8(11)12/h13H,5-7H2,1-4H3,(H,11,12)
InChIKeyBAFCGBAMHSMUBL-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.04
Rot. Bonds4

About 5-hydroxy-5,6,6-trimethylheptanoic acid

5-hydroxy-5,6,6-trimethylheptanoic acid (PubChem CID 139885308) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 5-hydroxy-5,6,6-trimethylheptanoic acid.

Molecular Properties

Compound Name5-hydroxy-5,6,6-trimethylheptanoic acid
PubChem CID139885308
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name5-hydroxy-5,6,6-trimethylheptanoic acid
SMILESCC(C)(C)C(C)(O)CCCC(=O)O
InChIInChI=1S/C10H20O3/c1-9(2,3)10(4,13)7-5-6-8(11)12/h13H,5-7H2,1-4H3,(H,11,12)
InChIKeyBAFCGBAMHSMUBL-UHFFFAOYSA-N
XLogP2.04
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5,5-difluorohexanoic acid
CID 53418167
(2S)-2-hydroxy-2-methylpentanedioic acid
CID 87384550
14-hydroxy-14-methylpentadecanoic acid
CID 548142
chloromethane;pentanedioic acid
CID 159659659
hexanoic acid;2-methylpropan-2-ol
CID 161308342
ruthenium;tris(2,2,3,3-tetramethylheptanedioic acid)
CID 173029770
6-amino-5,5-dimethylhexanoic acid;hydrochloride
CID 175554592
CID 173033725
CID 173033725
9-hydroxy-5,9-dimethyldecanoic acid
CID 170558406
5,5-dimethylhexanoic acid;4,4-dimethylpentanoic acid;methane;2-methylpropane
CID 165061333
5,5-diethoxyhexanoic acid
CID 174569404
6,6-dimethylheptanoic acid;8,8-dimethylnonanoic acid;zinc
CID 56844104

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-5,6,6-trimethylheptanoic acid?
The IUPAC name of 5-hydroxy-5,6,6-trimethylheptanoic acid (CID 139885308) is 5-hydroxy-5,6,6-trimethylheptanoic acid.
What is the SMILES notation for 5-hydroxy-5,6,6-trimethylheptanoic acid?
The canonical SMILES for 5-hydroxy-5,6,6-trimethylheptanoic acid is CC(C)(C)C(C)(O)CCCC(=O)O.
What is the InChIKey of 5-hydroxy-5,6,6-trimethylheptanoic acid?
The InChIKey is BAFCGBAMHSMUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-9(2,3)10(4,13)7-5-6-8(11)12/h13H,5-7H2,1-4H3,(H,11,12).
What are the key properties of 5-hydroxy-5,6,6-trimethylheptanoic acid?
5-hydroxy-5,6,6-trimethylheptanoic acid has a molecular weight of 188.27 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-5,6,6-trimethylheptanoic acid is sourced from PubChem (CID 139885308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).