(4R)-4-hydroxy-2,4,6-trimethylheptanoic acid

C10H20O3 — CID 122394912

IUPAC(4R)-4-hydroxy-2,4,6-trimethylheptanoic acid
SMILESCC(C)C[C@@](C)(O)CC(C)C(=O)O
InChIInChI=1S/C10H20O3/c1-7(2)5-10(4,13)6-8(3)9(11)12/h7-8,13H,5-6H2,1-4H3,(H,11,12)/t8?,10-/m1/s1
InChIKeyNEUVCABULCOVES-LHIURRSHSA-N
MW188.27 g/mol
LogP1.89
Rot. Bonds5

About (4R)-4-hydroxy-2,4,6-trimethylheptanoic acid

(4R)-4-hydroxy-2,4,6-trimethylheptanoic acid (PubChem CID 122394912) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is (4R)-4-hydroxy-2,4,6-trimethylheptanoic acid.

Molecular Properties

Compound Name(4R)-4-hydroxy-2,4,6-trimethylheptanoic acid
PubChem CID122394912
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name(4R)-4-hydroxy-2,4,6-trimethylheptanoic acid
SMILESCC(C)C[C@@](C)(O)CC(C)C(=O)O
InChIInChI=1S/C10H20O3/c1-7(2)5-10(4,13)6-8(3)9(11)12/h7-8,13H,5-6H2,1-4H3,(H,11,12)/t8?,10-/m1/s1
InChIKeyNEUVCABULCOVES-LHIURRSHSA-N
XLogP1.89
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-4-hydroxy-2,4-dimethylpentanoic acid
CID 168758888
4-amino-2,4-dimethylpentanoic acid
CID 20501045
(2R)-4,4-difluoro-2-methylpentanoic acid
CID 156789470
4-hydroxy-4,6-dimethylheptanoic acid
CID 66324059
3-hydroxy-2,3,5-trimethylhexanoic acid
CID 62399218
4-(hydroxymethyl)-2,4-dimethylhexanoic acid
CID 20734605
3-[(2-hydroxy-2,4-dimethylpentyl)amino]-2-methylbutanoic acid
CID 79397406
3-[(2-hydroxy-2,4-dimethylpentyl)amino]-2-methyl-3-oxopropanoic acid
CID 114898712
butane-1,1,1,3-tetracarboxylic acid
CID 91030692
2-amino-2,4-dimethylpentanedioic acid
CID 87224787
2-[(2-hydroxy-2,4-dimethylpentyl)amino]acetic acid
CID 66178823
(2S)-2,4,4-trimethyl-5-nitrosopentanoic acid
CID 174891106

Frequently Asked Questions

What is the IUPAC name of (4R)-4-hydroxy-2,4,6-trimethylheptanoic acid?
The IUPAC name of (4R)-4-hydroxy-2,4,6-trimethylheptanoic acid (CID 122394912) is (4R)-4-hydroxy-2,4,6-trimethylheptanoic acid.
What is the SMILES notation for (4R)-4-hydroxy-2,4,6-trimethylheptanoic acid?
The canonical SMILES for (4R)-4-hydroxy-2,4,6-trimethylheptanoic acid is CC(C)C[C@@](C)(O)CC(C)C(=O)O.
What is the InChIKey of (4R)-4-hydroxy-2,4,6-trimethylheptanoic acid?
The InChIKey is NEUVCABULCOVES-LHIURRSHSA-N. The full InChI is InChI=1S/C10H20O3/c1-7(2)5-10(4,13)6-8(3)9(11)12/h7-8,13H,5-6H2,1-4H3,(H,11,12)/t8?,10-/m1/s1.
What are the key properties of (4R)-4-hydroxy-2,4,6-trimethylheptanoic acid?
(4R)-4-hydroxy-2,4,6-trimethylheptanoic acid has a molecular weight of 188.27 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-hydroxy-2,4,6-trimethylheptanoic acid is sourced from PubChem (CID 122394912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).