2-hydroxyethyl 2,2-dimethylhexanoate

C10H20O3 — CID 59773865

IUPAC2-hydroxyethyl 2,2-dimethylhexanoate
SMILESCCCCC(C)(C)C(=O)OCCO
InChIInChI=1S/C10H20O3/c1-4-5-6-10(2,3)9(12)13-8-7-11/h11H,4-8H2,1-3H3
InChIKeyCCTQPXKZFHLCBE-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.74
Rot. Bonds6

About 2-hydroxyethyl 2,2-dimethylhexanoate

2-hydroxyethyl 2,2-dimethylhexanoate (PubChem CID 59773865) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-hydroxyethyl 2,2-dimethylhexanoate.

Molecular Properties

Compound Name2-hydroxyethyl 2,2-dimethylhexanoate
PubChem CID59773865
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name2-hydroxyethyl 2,2-dimethylhexanoate
SMILESCCCCC(C)(C)C(=O)OCCO
InChIInChI=1S/C10H20O3/c1-4-5-6-10(2,3)9(12)13-8-7-11/h11H,4-8H2,1-3H3
InChIKeyCCTQPXKZFHLCBE-UHFFFAOYSA-N
XLogP1.74
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-aminopropyl 2,2-dimethylhexanoate
CID 130456484
ethyl 6-(2,2-dimethylhexanoyloxy)-2,2-dimethylhexanoate
CID 175057143
propyl 2,2-dimethylhexadecanoate
CID 57107993
[2-hydroxy-3-(2-hydroxyethoxy)propyl] 2,2-dimethylhexanoate
CID 90206824
chloromethyl 2,2-dimethylhexanoate
CID 87893162
heptyl 2,2-dimethylpentanoate
CID 138486216
1-O-(2-hydroxyethyl) 3-O-octadecyl 2,2-dimethylpropanedioate
CID 153438657
ethyl 6-hydroxy-2,2-dimethylhexanoate
CID 57424988
ethane;undecyl 6-bromo-2,2-dimethylhexanoate
CID 170975848
didecyl 2,2,14,14-tetramethyl-8-oxopentadecanedioate
CID 169321325
2-hydroxyethyl 2,2-diethyloctanoate
CID 164897952
dipentyl 2,2-dimethylhexadecanedioate
CID 89463288

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 2,2-dimethylhexanoate?
The IUPAC name of 2-hydroxyethyl 2,2-dimethylhexanoate (CID 59773865) is 2-hydroxyethyl 2,2-dimethylhexanoate.
What is the SMILES notation for 2-hydroxyethyl 2,2-dimethylhexanoate?
The canonical SMILES for 2-hydroxyethyl 2,2-dimethylhexanoate is CCCCC(C)(C)C(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl 2,2-dimethylhexanoate?
The InChIKey is CCTQPXKZFHLCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-4-5-6-10(2,3)9(12)13-8-7-11/h11H,4-8H2,1-3H3.
What are the key properties of 2-hydroxyethyl 2,2-dimethylhexanoate?
2-hydroxyethyl 2,2-dimethylhexanoate has a molecular weight of 188.27 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 2,2-dimethylhexanoate is sourced from PubChem (CID 59773865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).