tert-butyl prop-2-enyl carbonate

C8H14O3 — CID 11194471

IUPACtert-butyl prop-2-enyl carbonate
SMILESC=CCOC(=O)OC(C)(C)C
InChIInChI=1S/C8H14O3/c1-5-6-10-7(9)11-8(2,3)4/h5H,1,6H2,2-4H3
InChIKeySWQDRYKDDGFPLL-UHFFFAOYSA-N
MW158.20 g/mol
LogP2.12
Rot. Bonds2

About tert-butyl prop-2-enyl carbonate

tert-butyl prop-2-enyl carbonate (PubChem CID 11194471) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is tert-butyl prop-2-enyl carbonate.

Molecular Properties

Compound Nametert-butyl prop-2-enyl carbonate
PubChem CID11194471
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Nametert-butyl prop-2-enyl carbonate
SMILESC=CCOC(=O)OC(C)(C)C
InChIInChI=1S/C8H14O3/c1-5-6-10-7(9)11-8(2,3)4/h5H,1,6H2,2-4H3
InChIKeySWQDRYKDDGFPLL-UHFFFAOYSA-N
XLogP2.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl prop-2-enyl carbonate?
The IUPAC name of tert-butyl prop-2-enyl carbonate (CID 11194471) is tert-butyl prop-2-enyl carbonate.
What is the SMILES notation for tert-butyl prop-2-enyl carbonate?
The canonical SMILES for tert-butyl prop-2-enyl carbonate is C=CCOC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl prop-2-enyl carbonate?
The InChIKey is SWQDRYKDDGFPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-5-6-10-7(9)11-8(2,3)4/h5H,1,6H2,2-4H3.
What are the key properties of tert-butyl prop-2-enyl carbonate?
tert-butyl prop-2-enyl carbonate has a molecular weight of 158.20 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl prop-2-enyl carbonate is sourced from PubChem (CID 11194471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).