tert-butyl 1-(2,3-dihydrofuran-5-yl)ethyl carbonate

C11H18O4 — CID 68562569

IUPACtert-butyl 1-(2,3-dihydrofuran-5-yl)ethyl carbonate
SMILESCC(OC(=O)OC(C)(C)C)C1=CCCO1
InChIInChI=1S/C11H18O4/c1-8(9-6-5-7-13-9)14-10(12)15-11(2,3)4/h6,8H,5,7H2,1-4H3
InChIKeyNVJFGGOAQUVCOS-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.63
Rot. Bonds2

About tert-butyl 1-(2,3-dihydrofuran-5-yl)ethyl carbonate

tert-butyl 1-(2,3-dihydrofuran-5-yl)ethyl carbonate (PubChem CID 68562569) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is tert-butyl 1-(2,3-dihydrofuran-5-yl)ethyl carbonate.

Molecular Properties

Compound Nametert-butyl 1-(2,3-dihydrofuran-5-yl)ethyl carbonate
PubChem CID68562569
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Nametert-butyl 1-(2,3-dihydrofuran-5-yl)ethyl carbonate
SMILESCC(OC(=O)OC(C)(C)C)C1=CCCO1
InChIInChI=1S/C11H18O4/c1-8(9-6-5-7-13-9)14-10(12)15-11(2,3)4/h6,8H,5,7H2,1-4H3
InChIKeyNVJFGGOAQUVCOS-UHFFFAOYSA-N
XLogP2.63
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-(2,3-dihydrofuran-5-yl)ethyl carbonate?
The IUPAC name of tert-butyl 1-(2,3-dihydrofuran-5-yl)ethyl carbonate (CID 68562569) is tert-butyl 1-(2,3-dihydrofuran-5-yl)ethyl carbonate.
What is the SMILES notation for tert-butyl 1-(2,3-dihydrofuran-5-yl)ethyl carbonate?
The canonical SMILES for tert-butyl 1-(2,3-dihydrofuran-5-yl)ethyl carbonate is CC(OC(=O)OC(C)(C)C)C1=CCCO1.
What is the InChIKey of tert-butyl 1-(2,3-dihydrofuran-5-yl)ethyl carbonate?
The InChIKey is NVJFGGOAQUVCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-8(9-6-5-7-13-9)14-10(12)15-11(2,3)4/h6,8H,5,7H2,1-4H3.
What are the key properties of tert-butyl 1-(2,3-dihydrofuran-5-yl)ethyl carbonate?
tert-butyl 1-(2,3-dihydrofuran-5-yl)ethyl carbonate has a molecular weight of 214.26 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-(2,3-dihydrofuran-5-yl)ethyl carbonate is sourced from PubChem (CID 68562569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).