[(2S)-5-oxo-2H-furan-2-yl]methyl 2,2-dimethylpropanoate

C10H14O4 — CID 10954515

IUPAC[(2S)-5-oxo-2H-furan-2-yl]methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC[C@@H]1C=CC(=O)O1
InChIInChI=1S/C10H14O4/c1-10(2,3)9(12)13-6-7-4-5-8(11)14-7/h4-5,7H,6H2,1-3H3/t7-/m0/s1
InChIKeyDRIRXMRFEHQKSK-ZETCQYMHSA-N
MW198.22 g/mol
LogP1.06
Rot. Bonds2

About [(2S)-5-oxo-2H-furan-2-yl]methyl 2,2-dimethylpropanoate

[(2S)-5-oxo-2H-furan-2-yl]methyl 2,2-dimethylpropanoate (PubChem CID 10954515) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is [(2S)-5-oxo-2H-furan-2-yl]methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(2S)-5-oxo-2H-furan-2-yl]methyl 2,2-dimethylpropanoate
PubChem CID10954515
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name[(2S)-5-oxo-2H-furan-2-yl]methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC[C@@H]1C=CC(=O)O1
InChIInChI=1S/C10H14O4/c1-10(2,3)9(12)13-6-7-4-5-8(11)14-7/h4-5,7H,6H2,1-3H3/t7-/m0/s1
InChIKeyDRIRXMRFEHQKSK-ZETCQYMHSA-N
XLogP1.06
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S)-5-oxo-2H-furan-2-yl]methyl 2,2-dimethylpropanoate?
The IUPAC name of [(2S)-5-oxo-2H-furan-2-yl]methyl 2,2-dimethylpropanoate (CID 10954515) is [(2S)-5-oxo-2H-furan-2-yl]methyl 2,2-dimethylpropanoate.
What is the SMILES notation for [(2S)-5-oxo-2H-furan-2-yl]methyl 2,2-dimethylpropanoate?
The canonical SMILES for [(2S)-5-oxo-2H-furan-2-yl]methyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OC[C@@H]1C=CC(=O)O1.
What is the InChIKey of [(2S)-5-oxo-2H-furan-2-yl]methyl 2,2-dimethylpropanoate?
The InChIKey is DRIRXMRFEHQKSK-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H14O4/c1-10(2,3)9(12)13-6-7-4-5-8(11)14-7/h4-5,7H,6H2,1-3H3/t7-/m0/s1.
What are the key properties of [(2S)-5-oxo-2H-furan-2-yl]methyl 2,2-dimethylpropanoate?
[(2S)-5-oxo-2H-furan-2-yl]methyl 2,2-dimethylpropanoate has a molecular weight of 198.22 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-5-oxo-2H-furan-2-yl]methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 10954515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).