tert-butyl 2-hydroxy-2-(hydroxymethyl)pentanoate

C10H20O4 — CID 150749024

IUPACtert-butyl 2-hydroxy-2-(hydroxymethyl)pentanoate
SMILESCCCC(O)(CO)C(=O)OC(C)(C)C
InChIInChI=1S/C10H20O4/c1-5-6-10(13,7-11)8(12)14-9(2,3)4/h11,13H,5-7H2,1-4H3
InChIKeyJVLQIZFZOFFQOQ-UHFFFAOYSA-N
MW204.27 g/mol
LogP0.85
Rot. Bonds4

About tert-butyl 2-hydroxy-2-(hydroxymethyl)pentanoate

tert-butyl 2-hydroxy-2-(hydroxymethyl)pentanoate (PubChem CID 150749024) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is tert-butyl 2-hydroxy-2-(hydroxymethyl)pentanoate.

Molecular Properties

Compound Nametert-butyl 2-hydroxy-2-(hydroxymethyl)pentanoate
PubChem CID150749024
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Nametert-butyl 2-hydroxy-2-(hydroxymethyl)pentanoate
SMILESCCCC(O)(CO)C(=O)OC(C)(C)C
InChIInChI=1S/C10H20O4/c1-5-6-10(13,7-11)8(12)14-9(2,3)4/h11,13H,5-7H2,1-4H3
InChIKeyJVLQIZFZOFFQOQ-UHFFFAOYSA-N
XLogP0.85
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ditert-butyl 2,2-dipropylpropanedioate
CID 174748782
tert-butyl (2S)-2-amino-2-hydroxypentanoate
CID 172785158
3-hydroxy-3-(hydroxymethyl)hexan-2-one
CID 174644471
3-O-tert-butyl 1-O-methyl 2-hydroxy-2-propylpropanedioate
CID 154080063
tert-butyl 4-hydroxy-2,2-dimethylbutanoate
CID 150945134
ditert-butyl 2,2-di(tetradecyl)propanedioate
CID 164541291
tert-butyl 2-(aminomethoxycarbonyloxy)-2-methylpropanoate
CID 155065541
calcium;2-amino-2-(hydroxymethyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid;hydride;hydrate
CID 175275826
tert-butyl 2,2-diaminoheptanoate;hydrochloride
CID 87385440
tert-butyl 2,2-diaminooctanoate
CID 88654355
tert-butyl 2-(difluoromethyl)-2-(hydroxymethyl)butanoate
CID 134589151
tert-butyl (2R)-2-amino-2-hydroxypropanoate
CID 88686968

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-hydroxy-2-(hydroxymethyl)pentanoate?
The IUPAC name of tert-butyl 2-hydroxy-2-(hydroxymethyl)pentanoate (CID 150749024) is tert-butyl 2-hydroxy-2-(hydroxymethyl)pentanoate.
What is the SMILES notation for tert-butyl 2-hydroxy-2-(hydroxymethyl)pentanoate?
The canonical SMILES for tert-butyl 2-hydroxy-2-(hydroxymethyl)pentanoate is CCCC(O)(CO)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-hydroxy-2-(hydroxymethyl)pentanoate?
The InChIKey is JVLQIZFZOFFQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4/c1-5-6-10(13,7-11)8(12)14-9(2,3)4/h11,13H,5-7H2,1-4H3.
What are the key properties of tert-butyl 2-hydroxy-2-(hydroxymethyl)pentanoate?
tert-butyl 2-hydroxy-2-(hydroxymethyl)pentanoate has a molecular weight of 204.27 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-hydroxy-2-(hydroxymethyl)pentanoate is sourced from PubChem (CID 150749024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).