2-hydroxyethyl 2,4-dimethylpentanoate

C9H18O3 — CID 118601483

IUPAC2-hydroxyethyl 2,4-dimethylpentanoate
SMILESCC(C)CC(C)C(=O)OCCO
InChIInChI=1S/C9H18O3/c1-7(2)6-8(3)9(11)12-5-4-10/h7-8,10H,4-6H2,1-3H3
InChIKeyUFXWEZXSWNVRCY-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.20
Rot. Bonds5

About 2-hydroxyethyl 2,4-dimethylpentanoate

2-hydroxyethyl 2,4-dimethylpentanoate (PubChem CID 118601483) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 2-hydroxyethyl 2,4-dimethylpentanoate.

Molecular Properties

Compound Name2-hydroxyethyl 2,4-dimethylpentanoate
PubChem CID118601483
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name2-hydroxyethyl 2,4-dimethylpentanoate
SMILESCC(C)CC(C)C(=O)OCCO
InChIInChI=1S/C9H18O3/c1-7(2)6-8(3)9(11)12-5-4-10/h7-8,10H,4-6H2,1-3H3
InChIKeyUFXWEZXSWNVRCY-UHFFFAOYSA-N
XLogP1.20
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxyethyl 2,4-dimethylpentanoate
CID 142740017
2-hydroxyethyl (2R)-2-hydroxypropanoate
CID 14273570
2-hydroxyethyl N-(2-hydroxy-4-methylpentyl)carbamate
CID 107159468
1-O-(2-hydroxyethyl) 5-O-methyl 2-ethyl-4-methylpentanedioate
CID 22892400
sodium;hydride;2-hydroxyethyl (2S)-2-aminopropanoate
CID 174523367
4-(2-hydroxyethoxycarbonyl)-2-methylhexanoic acid
CID 176620602
2-[4,6-dicarboxy-2-ethyl-9-(2-hydroxyethoxy)-8-methyl-9-oxononanoyl]oxyethyl-trimethylphosphanium
CID 121284816
2-[4-carboxy-2-ethyl-7-(2-hydroxyethoxy)-6-methyl-7-oxoheptanoyl]oxyethyl-trimethylphosphanium
CID 121284810
2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate
CID 58473820
2-hydroxyethyl N-propan-2-ylcarbamate
CID 71382722
2-hydroxyethyl N-(5-methylhexan-2-yl)carbamate
CID 79348697
2-[2-(2,4-dimethyl-5-oxohexanoyl)oxyethoxy]ethyl 2,4-dimethyl-5-oxohexanoate
CID 118372663

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 2,4-dimethylpentanoate?
The IUPAC name of 2-hydroxyethyl 2,4-dimethylpentanoate (CID 118601483) is 2-hydroxyethyl 2,4-dimethylpentanoate.
What is the SMILES notation for 2-hydroxyethyl 2,4-dimethylpentanoate?
The canonical SMILES for 2-hydroxyethyl 2,4-dimethylpentanoate is CC(C)CC(C)C(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl 2,4-dimethylpentanoate?
The InChIKey is UFXWEZXSWNVRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-7(2)6-8(3)9(11)12-5-4-10/h7-8,10H,4-6H2,1-3H3.
What are the key properties of 2-hydroxyethyl 2,4-dimethylpentanoate?
2-hydroxyethyl 2,4-dimethylpentanoate has a molecular weight of 174.24 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 2,4-dimethylpentanoate is sourced from PubChem (CID 118601483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).