4-ethyl-4-hydroxy-2-methyl-2-propylhexanoic acid

C12H24O3 — CID 114495188

IUPAC4-ethyl-4-hydroxy-2-methyl-2-propylhexanoic acid
SMILESCCCC(C)(CC(O)(CC)CC)C(=O)O
InChIInChI=1S/C12H24O3/c1-5-8-11(4,10(13)14)9-12(15,6-2)7-3/h15H,5-9H2,1-4H3,(H,13,14)
InChIKeyRLZFUQIWVTXFQX-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.82
Rot. Bonds7

About 4-ethyl-4-hydroxy-2-methyl-2-propylhexanoic acid

4-ethyl-4-hydroxy-2-methyl-2-propylhexanoic acid (PubChem CID 114495188) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is 4-ethyl-4-hydroxy-2-methyl-2-propylhexanoic acid.

Molecular Properties

Compound Name4-ethyl-4-hydroxy-2-methyl-2-propylhexanoic acid
PubChem CID114495188
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name4-ethyl-4-hydroxy-2-methyl-2-propylhexanoic acid
SMILESCCCC(C)(CC(O)(CC)CC)C(=O)O
InChIInChI=1S/C12H24O3/c1-5-8-11(4,10(13)14)9-12(15,6-2)7-3/h15H,5-9H2,1-4H3,(H,13,14)
InChIKeyRLZFUQIWVTXFQX-UHFFFAOYSA-N
XLogP2.82
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
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

2,2,4-trimethyl-4-propylpentanedioic acid
CID 19091003
2-(methoxymethyl)-2-methylpentanoic acid
CID 23056513
6-hydroxy-2-methyl-2-propylhexanoic acid
CID 79426423
(2R)-2-ethyl-2-hydroxypentanoic acid
CID 10725485
2-butyl-2-methylhexanoic acid
CID 15930803
2-methyl-2-(2,2,2-trifluoroethyl)hexanoic acid
CID 143517262
4-hydroxy-2-methyl-2-propylhexanoic acid
CID 79425025
2-methyl-2-propylnonanedioic acid
CID 160508376
(2S)-2-ethyl-2-methylpentanoate
CID 86306121
2-ethyl-2-methylpentanamide
CID 22376566
2-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]pentanoic acid
CID 116616869
(2S)-2-(hydroxymethyl)-2-methylbutanoic acid
CID 124539750

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-hydroxy-2-methyl-2-propylhexanoic acid?
The IUPAC name of 4-ethyl-4-hydroxy-2-methyl-2-propylhexanoic acid (CID 114495188) is 4-ethyl-4-hydroxy-2-methyl-2-propylhexanoic acid.
What is the SMILES notation for 4-ethyl-4-hydroxy-2-methyl-2-propylhexanoic acid?
The canonical SMILES for 4-ethyl-4-hydroxy-2-methyl-2-propylhexanoic acid is CCCC(C)(CC(O)(CC)CC)C(=O)O.
What is the InChIKey of 4-ethyl-4-hydroxy-2-methyl-2-propylhexanoic acid?
The InChIKey is RLZFUQIWVTXFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3/c1-5-8-11(4,10(13)14)9-12(15,6-2)7-3/h15H,5-9H2,1-4H3,(H,13,14).
What are the key properties of 4-ethyl-4-hydroxy-2-methyl-2-propylhexanoic acid?
4-ethyl-4-hydroxy-2-methyl-2-propylhexanoic acid has a molecular weight of 216.32 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-hydroxy-2-methyl-2-propylhexanoic acid is sourced from PubChem (CID 114495188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).