(3-hydroxy-2-methoxypropyl) 2,2-dimethylbutanoate

C10H20O4 — CID 134215746

IUPAC(3-hydroxy-2-methoxypropyl) 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCC(CO)OC
InChIInChI=1S/C10H20O4/c1-5-10(2,3)9(12)14-7-8(6-11)13-4/h8,11H,5-7H2,1-4H3
InChIKeyYAOVAGYVYLAKTG-UHFFFAOYSA-N
MW204.27 g/mol
LogP0.97
Rot. Bonds6

About (3-hydroxy-2-methoxypropyl) 2,2-dimethylbutanoate

(3-hydroxy-2-methoxypropyl) 2,2-dimethylbutanoate (PubChem CID 134215746) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is (3-hydroxy-2-methoxypropyl) 2,2-dimethylbutanoate.

Molecular Properties

Compound Name(3-hydroxy-2-methoxypropyl) 2,2-dimethylbutanoate
PubChem CID134215746
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Name(3-hydroxy-2-methoxypropyl) 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCC(CO)OC
InChIInChI=1S/C10H20O4/c1-5-10(2,3)9(12)14-7-8(6-11)13-4/h8,11H,5-7H2,1-4H3
InChIKeyYAOVAGYVYLAKTG-UHFFFAOYSA-N
XLogP0.97
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-hydroxy-2-methoxypropyl) 2,2,4,4-tetramethylhexanoate
CID 59866383
2-[1-[1-[1-[1-[1-(1-hydroxybutan-2-yloxy)butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]propyl 2,2-dimethylbutanoate
CID 122450995
2-(2-methoxybutoxy)ethyl 2,2-dimethylbutanoate
CID 177277329
2-ethoxypropyl 2,2-dimethylbutanoate
CID 177277307
[3-(2,3-dihydroxypropoxy)-2-hydroxypropyl] 2,2-dimethylbutanoate
CID 162488757
[3-(2,3-dihydroxypropanoyloxy)-2-hydroxypropyl] 2,2-dimethylbutanoate
CID 155624591
methoxymethyl 2,2-dimethylbutanoate
CID 18731138
2-(2-hydroxyethoxymethoxymethoxymethoxymethoxymethoxymethoxymethoxy)butyl 2,2-dimethylbutanoate
CID 162454151
1,3-di(propanoyloxy)propan-2-yl 2,2-dimethylbutanoate
CID 58900391
(2-hydroxy-3-propanoyloxypropyl) 2,2-dimethylbutanoate
CID 140925910
iodomethyl 2,2-dimethylbutanoate
CID 14459667
2-prop-2-enoyloxypropyl 2,2-dimethylbutanoate
CID 59264341

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-2-methoxypropyl) 2,2-dimethylbutanoate?
The IUPAC name of (3-hydroxy-2-methoxypropyl) 2,2-dimethylbutanoate (CID 134215746) is (3-hydroxy-2-methoxypropyl) 2,2-dimethylbutanoate.
What is the SMILES notation for (3-hydroxy-2-methoxypropyl) 2,2-dimethylbutanoate?
The canonical SMILES for (3-hydroxy-2-methoxypropyl) 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OCC(CO)OC.
What is the InChIKey of (3-hydroxy-2-methoxypropyl) 2,2-dimethylbutanoate?
The InChIKey is YAOVAGYVYLAKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4/c1-5-10(2,3)9(12)14-7-8(6-11)13-4/h8,11H,5-7H2,1-4H3.
What are the key properties of (3-hydroxy-2-methoxypropyl) 2,2-dimethylbutanoate?
(3-hydroxy-2-methoxypropyl) 2,2-dimethylbutanoate has a molecular weight of 204.27 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-2-methoxypropyl) 2,2-dimethylbutanoate is sourced from PubChem (CID 134215746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).