tert-butyl 2-(2-hydroxyoxolan-2-yl)acetate

C10H18O4 — CID 11298617

IUPACtert-butyl 2-(2-hydroxyoxolan-2-yl)acetate
SMILESCC(C)(C)OC(=O)CC1(O)CCCO1
InChIInChI=1S/C10H18O4/c1-9(2,3)14-8(11)7-10(12)5-4-6-13-10/h12H,4-7H2,1-3H3
InChIKeyKGRQSQKVMGRTDL-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.22
Rot. Bonds2

About tert-butyl 2-(2-hydroxyoxolan-2-yl)acetate

tert-butyl 2-(2-hydroxyoxolan-2-yl)acetate (PubChem CID 11298617) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is tert-butyl 2-(2-hydroxyoxolan-2-yl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(2-hydroxyoxolan-2-yl)acetate
PubChem CID11298617
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Nametert-butyl 2-(2-hydroxyoxolan-2-yl)acetate
SMILESCC(C)(C)OC(=O)CC1(O)CCCO1
InChIInChI=1S/C10H18O4/c1-9(2,3)14-8(11)7-10(12)5-4-6-13-10/h12H,4-7H2,1-3H3
InChIKeyKGRQSQKVMGRTDL-UHFFFAOYSA-N
XLogP1.22
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]oxolane-2-carboxylate
CID 134367700
tert-butyl 3-[(2R)-2-methyloxolan-2-yl]-3-oxopropanoate
CID 125485787
tert-butyl 2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexyl]acetate
CID 134940584
tert-butyl acetate;tert-butyl 2-(1-hydroxycyclopentyl)acetate;cyclopentanone;oxolane
CID 159835510
tert-butyl 2-[1-(aminomethyl)cyclobutyl]acetate
CID 81161398
tert-butyl 2-(3-hydroxy-1-methylpiperidin-3-yl)acetate
CID 115037342
tert-butyl 2-(1-hydroxycyclobutyl)oxyacetate
CID 137480139
chloromethyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclohexane-1-carboxylate
CID 158639517
tert-butyl 2-(2-hydroxy-5-phenyloxolan-2-yl)acetate
CID 101360782
tert-butyl 3-(1-hydroxycyclobutyl)propanoate
CID 10910542
tert-butyl 2-[(4R)-4-(2-aminoethyl)-1,3-dioxan-4-yl]acetate
CID 22846020
tert-butyl 2-(2-oxo-3,3a,4,5,6,7-hexahydro-1,3-benzoxazol-7a-yl)acetate
CID 24761730

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-hydroxyoxolan-2-yl)acetate?
The IUPAC name of tert-butyl 2-(2-hydroxyoxolan-2-yl)acetate (CID 11298617) is tert-butyl 2-(2-hydroxyoxolan-2-yl)acetate.
What is the SMILES notation for tert-butyl 2-(2-hydroxyoxolan-2-yl)acetate?
The canonical SMILES for tert-butyl 2-(2-hydroxyoxolan-2-yl)acetate is CC(C)(C)OC(=O)CC1(O)CCCO1.
What is the InChIKey of tert-butyl 2-(2-hydroxyoxolan-2-yl)acetate?
The InChIKey is KGRQSQKVMGRTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-9(2,3)14-8(11)7-10(12)5-4-6-13-10/h12H,4-7H2,1-3H3.
What are the key properties of tert-butyl 2-(2-hydroxyoxolan-2-yl)acetate?
tert-butyl 2-(2-hydroxyoxolan-2-yl)acetate has a molecular weight of 202.25 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-hydroxyoxolan-2-yl)acetate is sourced from PubChem (CID 11298617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).