tert-butyl [(2S)-2,3-dihydrofuran-2-yl]methyl carbonate

C10H16O4 — CID 134878668

IUPACtert-butyl [(2S)-2,3-dihydrofuran-2-yl]methyl carbonate
SMILESCC(C)(C)OC(=O)OC[C@@H]1CC=CO1
InChIInChI=1S/C10H16O4/c1-10(2,3)14-9(11)13-7-8-5-4-6-12-8/h4,6,8H,5,7H2,1-3H3/t8-/m0/s1
InChIKeyXJNASPHDWWXFIM-QMMMGPOBSA-N
MW200.23 g/mol
LogP2.24
Rot. Bonds2

About tert-butyl [(2S)-2,3-dihydrofuran-2-yl]methyl carbonate

tert-butyl [(2S)-2,3-dihydrofuran-2-yl]methyl carbonate (PubChem CID 134878668) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is tert-butyl [(2S)-2,3-dihydrofuran-2-yl]methyl carbonate.

Molecular Properties

Compound Nametert-butyl [(2S)-2,3-dihydrofuran-2-yl]methyl carbonate
PubChem CID134878668
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Nametert-butyl [(2S)-2,3-dihydrofuran-2-yl]methyl carbonate
SMILESCC(C)(C)OC(=O)OC[C@@H]1CC=CO1
InChIInChI=1S/C10H16O4/c1-10(2,3)14-9(11)13-7-8-5-4-6-12-8/h4,6,8H,5,7H2,1-3H3/t8-/m0/s1
InChIKeyXJNASPHDWWXFIM-QMMMGPOBSA-N
XLogP2.24
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl [(2S)-2,3-dihydrofuran-2-yl]methyl carbonate?
The IUPAC name of tert-butyl [(2S)-2,3-dihydrofuran-2-yl]methyl carbonate (CID 134878668) is tert-butyl [(2S)-2,3-dihydrofuran-2-yl]methyl carbonate.
What is the SMILES notation for tert-butyl [(2S)-2,3-dihydrofuran-2-yl]methyl carbonate?
The canonical SMILES for tert-butyl [(2S)-2,3-dihydrofuran-2-yl]methyl carbonate is CC(C)(C)OC(=O)OC[C@@H]1CC=CO1.
What is the InChIKey of tert-butyl [(2S)-2,3-dihydrofuran-2-yl]methyl carbonate?
The InChIKey is XJNASPHDWWXFIM-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H16O4/c1-10(2,3)14-9(11)13-7-8-5-4-6-12-8/h4,6,8H,5,7H2,1-3H3/t8-/m0/s1.
What are the key properties of tert-butyl [(2S)-2,3-dihydrofuran-2-yl]methyl carbonate?
tert-butyl [(2S)-2,3-dihydrofuran-2-yl]methyl carbonate has a molecular weight of 200.23 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl [(2S)-2,3-dihydrofuran-2-yl]methyl carbonate is sourced from PubChem (CID 134878668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).