2,2-diethyl-5-hydroxypentanoic acid

C9H18O3 — CID 79425038

IUPAC2,2-diethyl-5-hydroxypentanoic acid
SMILESCCC(CC)(CCCO)C(=O)O
InChIInChI=1S/C9H18O3/c1-3-9(4-2,8(11)12)6-5-7-10/h10H,3-7H2,1-2H3,(H,11,12)
InChIKeySCEYQFHKJJHCDL-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.65
Rot. Bonds6

About 2,2-diethyl-5-hydroxypentanoic acid

2,2-diethyl-5-hydroxypentanoic acid (PubChem CID 79425038) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 2,2-diethyl-5-hydroxypentanoic acid.

Molecular Properties

Compound Name2,2-diethyl-5-hydroxypentanoic acid
PubChem CID79425038
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name2,2-diethyl-5-hydroxypentanoic acid
SMILESCCC(CC)(CCCO)C(=O)O
InChIInChI=1S/C9H18O3/c1-3-9(4-2,8(11)12)6-5-7-10/h10H,3-7H2,1-2H3,(H,11,12)
InChIKeySCEYQFHKJJHCDL-UHFFFAOYSA-N
XLogP1.65
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-diethylhexanoic acid;nickel
CID 174321081
2,2-diethylhexanoic acid;λ2-stannane
CID 173193694
2,2-diethylhexanoic acid;indigane
CID 175172164
CID 87969329
CID 87969329
2,2-diethyltridecanoic acid
CID 138578067
2,2-diethylnonadecanoic acid
CID 139750929
6-bromo-2,2-diethylhexanoic acid
CID 141203057
azane;2,2-diethylbutanoic acid
CID 173369262
2-butyl-2-ethylnonanoic acid
CID 57042574
2,2-diethyl-8-methylnonanoic acid
CID 162011616
methyl 2,2-diethyl-10-hydroxydecanoate
CID 154931124
bis(6-hydroxyhexyl) carbonate;2,2-bis(hydroxymethyl)butanoic acid
CID 159702607

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-5-hydroxypentanoic acid?
The IUPAC name of 2,2-diethyl-5-hydroxypentanoic acid (CID 79425038) is 2,2-diethyl-5-hydroxypentanoic acid.
What is the SMILES notation for 2,2-diethyl-5-hydroxypentanoic acid?
The canonical SMILES for 2,2-diethyl-5-hydroxypentanoic acid is CCC(CC)(CCCO)C(=O)O.
What is the InChIKey of 2,2-diethyl-5-hydroxypentanoic acid?
The InChIKey is SCEYQFHKJJHCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-3-9(4-2,8(11)12)6-5-7-10/h10H,3-7H2,1-2H3,(H,11,12).
What are the key properties of 2,2-diethyl-5-hydroxypentanoic acid?
2,2-diethyl-5-hydroxypentanoic acid has a molecular weight of 174.24 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-5-hydroxypentanoic acid is sourced from PubChem (CID 79425038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).