2-hydroxy-3,4-dimethyl-2-propan-2-ylhexanoic acid

C11H22O3 — CID 79303592

IUPAC2-hydroxy-3,4-dimethyl-2-propan-2-ylhexanoic acid
SMILESCCC(C)C(C)C(O)(C(=O)O)C(C)C
InChIInChI=1S/C11H22O3/c1-6-8(4)9(5)11(14,7(2)3)10(12)13/h7-9,14H,6H2,1-5H3,(H,12,13)
InChIKeyCFIKUVXGNSVVSC-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.14
Rot. Bonds5

About 2-hydroxy-3,4-dimethyl-2-propan-2-ylhexanoic acid

2-hydroxy-3,4-dimethyl-2-propan-2-ylhexanoic acid (PubChem CID 79303592) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 2-hydroxy-3,4-dimethyl-2-propan-2-ylhexanoic acid.

Molecular Properties

Compound Name2-hydroxy-3,4-dimethyl-2-propan-2-ylhexanoic acid
PubChem CID79303592
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name2-hydroxy-3,4-dimethyl-2-propan-2-ylhexanoic acid
SMILESCCC(C)C(C)C(O)(C(=O)O)C(C)C
InChIInChI=1S/C11H22O3/c1-6-8(4)9(5)11(14,7(2)3)10(12)13/h7-9,14H,6H2,1-5H3,(H,12,13)
InChIKeyCFIKUVXGNSVVSC-UHFFFAOYSA-N
XLogP2.14
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-2-hydroxy-4-methyl-2-propan-2-ylpentanoic acid
CID 79304533
2-hydroxy-3-methyl-2-propan-2-ylhexanoic acid
CID 79303936
2-hydroxy-5-methoxy-3-methyl-2-propan-2-ylpentanoic acid
CID 79304211
3-hydroxy-2,2,4-trimethylhexanoic acid
CID 62397285
(2S,4S)-2,4-bis[(2S)-butan-2-yl]pentanedioic acid
CID 15070778
2-(2,3-dimethylpentanoylamino)-2-methylpropanoic acid
CID 120515956
2-methyl-4-(3-methylpentan-2-ylamino)-4-oxo-2-propan-2-ylbutanoic acid
CID 54949758
methyl 3-ethyl-2-hydroxy-2-propan-2-ylheptanoate
CID 79298011
2-[(2R)-butan-2-yl]propanedioic acid
CID 51381327
(2S,3S)-3-amino-2-hydroxy-2-propan-2-ylbutanedioic acid
CID 10857188
3,4,5,6-tetramethyloctan-4-ol
CID 121007351
(2S)-2-amino-2-hydroxy-3-methylpentanoic acid
CID 143658078

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3,4-dimethyl-2-propan-2-ylhexanoic acid?
The IUPAC name of 2-hydroxy-3,4-dimethyl-2-propan-2-ylhexanoic acid (CID 79303592) is 2-hydroxy-3,4-dimethyl-2-propan-2-ylhexanoic acid.
What is the SMILES notation for 2-hydroxy-3,4-dimethyl-2-propan-2-ylhexanoic acid?
The canonical SMILES for 2-hydroxy-3,4-dimethyl-2-propan-2-ylhexanoic acid is CCC(C)C(C)C(O)(C(=O)O)C(C)C.
What is the InChIKey of 2-hydroxy-3,4-dimethyl-2-propan-2-ylhexanoic acid?
The InChIKey is CFIKUVXGNSVVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-6-8(4)9(5)11(14,7(2)3)10(12)13/h7-9,14H,6H2,1-5H3,(H,12,13).
What are the key properties of 2-hydroxy-3,4-dimethyl-2-propan-2-ylhexanoic acid?
2-hydroxy-3,4-dimethyl-2-propan-2-ylhexanoic acid has a molecular weight of 202.29 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3,4-dimethyl-2-propan-2-ylhexanoic acid is sourced from PubChem (CID 79303592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).