3-ethyl-3-hydroxy-2,5-dimethylheptanoic acid

C11H22O3 — CID 62398612

IUPAC3-ethyl-3-hydroxy-2,5-dimethylheptanoic acid
SMILESCCC(C)CC(O)(CC)C(C)C(=O)O
InChIInChI=1S/C11H22O3/c1-5-8(3)7-11(14,6-2)9(4)10(12)13/h8-9,14H,5-7H2,1-4H3,(H,12,13)
InChIKeyYOIWBQZJAVKENC-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.28
Rot. Bonds6

About 3-ethyl-3-hydroxy-2,5-dimethylheptanoic acid

3-ethyl-3-hydroxy-2,5-dimethylheptanoic acid (PubChem CID 62398612) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 3-ethyl-3-hydroxy-2,5-dimethylheptanoic acid.

Molecular Properties

Compound Name3-ethyl-3-hydroxy-2,5-dimethylheptanoic acid
PubChem CID62398612
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name3-ethyl-3-hydroxy-2,5-dimethylheptanoic acid
SMILESCCC(C)CC(O)(CC)C(C)C(=O)O
InChIInChI=1S/C11H22O3/c1-5-8(3)7-11(14,6-2)9(4)10(12)13/h8-9,14H,5-7H2,1-4H3,(H,12,13)
InChIKeyYOIWBQZJAVKENC-UHFFFAOYSA-N
XLogP2.28
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-3-hydroxy-2-methylpentanoic acid
CID 13460237
2,2,4-trimethylhexanoic acid
CID 15564208
carbonic acid;3-methylpentane
CID 173481374
2,3-diethyl-3-hydroxyheptanoic acid
CID 57207381
2,2,4-trimethylhexanamide
CID 173326530
2-ethyl-4-methyl-2-(methylamino)hexanoic acid
CID 43753669
2-ethyl-2-[ethyl(methyl)amino]-4-methylhexanoic acid
CID 114989090
2,4-dimethyl-2-(methylcarbamoyl)hexanoic acid
CID 114900056
2-ethyl-3,4-dihydroxy-3-(hydroxymethyl)butanoic acid
CID 20669294
3-hydroxy-2,3,5-trimethylhexanoic acid
CID 62399218
2-acetamido-2-ethyl-4-methylhexanoic acid
CID 63702394
2-ethyl-3-hydroxy-3,4-dimethylpentanoic acid
CID 62487077

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-hydroxy-2,5-dimethylheptanoic acid?
The IUPAC name of 3-ethyl-3-hydroxy-2,5-dimethylheptanoic acid (CID 62398612) is 3-ethyl-3-hydroxy-2,5-dimethylheptanoic acid.
What is the SMILES notation for 3-ethyl-3-hydroxy-2,5-dimethylheptanoic acid?
The canonical SMILES for 3-ethyl-3-hydroxy-2,5-dimethylheptanoic acid is CCC(C)CC(O)(CC)C(C)C(=O)O.
What is the InChIKey of 3-ethyl-3-hydroxy-2,5-dimethylheptanoic acid?
The InChIKey is YOIWBQZJAVKENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-5-8(3)7-11(14,6-2)9(4)10(12)13/h8-9,14H,5-7H2,1-4H3,(H,12,13).
What are the key properties of 3-ethyl-3-hydroxy-2,5-dimethylheptanoic acid?
3-ethyl-3-hydroxy-2,5-dimethylheptanoic acid has a molecular weight of 202.29 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-hydroxy-2,5-dimethylheptanoic acid is sourced from PubChem (CID 62398612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).