[(3R,4S)-4-hydroxyoxolan-3-yl] 2-methylpropanoate

C8H14O4 — CID 11137612

IUPAC[(3R,4S)-4-hydroxyoxolan-3-yl] 2-methylpropanoate
SMILESCC(C)C(=O)O[C@@H]1COC[C@@H]1O
InChIInChI=1S/C8H14O4/c1-5(2)8(10)12-7-4-11-3-6(7)9/h5-7,9H,3-4H2,1-2H3/t6-,7+/m0/s1
InChIKeyZLQMHARRRYSYLM-NKWVEPMBSA-N
MW174.20 g/mol
LogP-0.05
Rot. Bonds2

About [(3R,4S)-4-hydroxyoxolan-3-yl] 2-methylpropanoate

[(3R,4S)-4-hydroxyoxolan-3-yl] 2-methylpropanoate (PubChem CID 11137612) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is [(3R,4S)-4-hydroxyoxolan-3-yl] 2-methylpropanoate.

Molecular Properties

Compound Name[(3R,4S)-4-hydroxyoxolan-3-yl] 2-methylpropanoate
PubChem CID11137612
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name[(3R,4S)-4-hydroxyoxolan-3-yl] 2-methylpropanoate
SMILESCC(C)C(=O)O[C@@H]1COC[C@@H]1O
InChIInChI=1S/C8H14O4/c1-5(2)8(10)12-7-4-11-3-6(7)9/h5-7,9H,3-4H2,1-2H3/t6-,7+/m0/s1
InChIKeyZLQMHARRRYSYLM-NKWVEPMBSA-N
XLogP-0.05
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-hydroxyoxolan-3-yl) acetate
CID 14785283
(4-hydroxyoxolan-3-yl) 2-aminoacetate
CID 131172210
[2,3,4,5,6-pentakis(2-methylpropanoyloxy)cyclohexyl] 2-methylpropanoate
CID 4178515
(3-propanoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) 2-methylpropanoate
CID 118047556
(3R,4R)-4-[(3S,4S)-4-hydroxyoxolan-3-yl]oxyoxolan-3-ol
CID 101047051
[(3S,7R,8S,9S)-3-amino-8-butyl-9-methyl-2-oxo-1,5-dioxonan-7-yl] 2-methylpropanoate;hydrochloride
CID 161362279
[(1S,3R,4R,6S)-2-hydroxy-3,4,5,6-tetrakis(2-methylpropanoyloxy)cyclohexyl] 2-methylpropanoate
CID 93045526
[(3aR,6S,6aS)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2-methylpropanoate
CID 137484809
[(6S)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 2-methylpropanoate
CID 118882980
diethyl 2-[(3R,4S)-4-hydroxyoxolan-3-yl]propanedioate
CID 139791909
(4-hydroxyoxolan-3-yl) hypoiodite
CID 134388200
cyclopropyl 2-methylpropanoate
CID 54511576

Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-4-hydroxyoxolan-3-yl] 2-methylpropanoate?
The IUPAC name of [(3R,4S)-4-hydroxyoxolan-3-yl] 2-methylpropanoate (CID 11137612) is [(3R,4S)-4-hydroxyoxolan-3-yl] 2-methylpropanoate.
What is the SMILES notation for [(3R,4S)-4-hydroxyoxolan-3-yl] 2-methylpropanoate?
The canonical SMILES for [(3R,4S)-4-hydroxyoxolan-3-yl] 2-methylpropanoate is CC(C)C(=O)O[C@@H]1COC[C@@H]1O.
What is the InChIKey of [(3R,4S)-4-hydroxyoxolan-3-yl] 2-methylpropanoate?
The InChIKey is ZLQMHARRRYSYLM-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H14O4/c1-5(2)8(10)12-7-4-11-3-6(7)9/h5-7,9H,3-4H2,1-2H3/t6-,7+/m0/s1.
What are the key properties of [(3R,4S)-4-hydroxyoxolan-3-yl] 2-methylpropanoate?
[(3R,4S)-4-hydroxyoxolan-3-yl] 2-methylpropanoate has a molecular weight of 174.20 g/mol, XLogP of -0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-4-hydroxyoxolan-3-yl] 2-methylpropanoate is sourced from PubChem (CID 11137612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).