tert-butyl 2-(oxan-2-yloxy)ethyl carbonate

C12H22O5 — CID 164670278

IUPACtert-butyl 2-(oxan-2-yloxy)ethyl carbonate
SMILESCC(C)(C)OC(=O)OCCOC1CCCCO1
InChIInChI=1S/C12H22O5/c1-12(2,3)17-11(13)16-9-8-15-10-6-4-5-7-14-10/h10H,4-9H2,1-3H3
InChIKeyJGDREHCPBDKYFT-UHFFFAOYSA-N
MW246.30 g/mol
LogP2.48
Rot. Bonds4

About tert-butyl 2-(oxan-2-yloxy)ethyl carbonate

tert-butyl 2-(oxan-2-yloxy)ethyl carbonate (PubChem CID 164670278) has the molecular formula C12H22O5 and a molecular weight of 246.30 g/mol. Its IUPAC name is tert-butyl 2-(oxan-2-yloxy)ethyl carbonate.

Molecular Properties

Compound Nametert-butyl 2-(oxan-2-yloxy)ethyl carbonate
PubChem CID164670278
Molecular FormulaC12H22O5
Molecular Weight246.30 g/mol
Exact Mass246.15
IUPAC Nametert-butyl 2-(oxan-2-yloxy)ethyl carbonate
SMILESCC(C)(C)OC(=O)OCCOC1CCCCO1
InChIInChI=1S/C12H22O5/c1-12(2,3)17-11(13)16-9-8-15-10-6-4-5-7-14-10/h10H,4-9H2,1-3H3
InChIKeyJGDREHCPBDKYFT-UHFFFAOYSA-N
XLogP2.48
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(oxan-2-yloxy)ethyl carbonate?
The IUPAC name of tert-butyl 2-(oxan-2-yloxy)ethyl carbonate (CID 164670278) is tert-butyl 2-(oxan-2-yloxy)ethyl carbonate.
What is the SMILES notation for tert-butyl 2-(oxan-2-yloxy)ethyl carbonate?
The canonical SMILES for tert-butyl 2-(oxan-2-yloxy)ethyl carbonate is CC(C)(C)OC(=O)OCCOC1CCCCO1.
What is the InChIKey of tert-butyl 2-(oxan-2-yloxy)ethyl carbonate?
The InChIKey is JGDREHCPBDKYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O5/c1-12(2,3)17-11(13)16-9-8-15-10-6-4-5-7-14-10/h10H,4-9H2,1-3H3.
What are the key properties of tert-butyl 2-(oxan-2-yloxy)ethyl carbonate?
tert-butyl 2-(oxan-2-yloxy)ethyl carbonate has a molecular weight of 246.30 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(oxan-2-yloxy)ethyl carbonate is sourced from PubChem (CID 164670278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).