2,2-dimethylpropyl ethenyl carbonate

C8H14O3 — CID 14122304

IUPAC2,2-dimethylpropyl ethenyl carbonate
SMILESC=COC(=O)OCC(C)(C)C
InChIInChI=1S/C8H14O3/c1-5-10-7(9)11-6-8(2,3)4/h5H,1,6H2,2-4H3
InChIKeyXUICOWQRQBRVRE-UHFFFAOYSA-N
MW158.20 g/mol
LogP2.33
Rot. Bonds2

About 2,2-dimethylpropyl ethenyl carbonate

2,2-dimethylpropyl ethenyl carbonate (PubChem CID 14122304) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2,2-dimethylpropyl ethenyl carbonate.

Molecular Properties

Compound Name2,2-dimethylpropyl ethenyl carbonate
PubChem CID14122304
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name2,2-dimethylpropyl ethenyl carbonate
SMILESC=COC(=O)OCC(C)(C)C
InChIInChI=1S/C8H14O3/c1-5-10-7(9)11-6-8(2,3)4/h5H,1,6H2,2-4H3
InChIKeyXUICOWQRQBRVRE-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl ethenyl carbonate?
The IUPAC name of 2,2-dimethylpropyl ethenyl carbonate (CID 14122304) is 2,2-dimethylpropyl ethenyl carbonate.
What is the SMILES notation for 2,2-dimethylpropyl ethenyl carbonate?
The canonical SMILES for 2,2-dimethylpropyl ethenyl carbonate is C=COC(=O)OCC(C)(C)C.
What is the InChIKey of 2,2-dimethylpropyl ethenyl carbonate?
The InChIKey is XUICOWQRQBRVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-5-10-7(9)11-6-8(2,3)4/h5H,1,6H2,2-4H3.
What are the key properties of 2,2-dimethylpropyl ethenyl carbonate?
2,2-dimethylpropyl ethenyl carbonate has a molecular weight of 158.20 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl ethenyl carbonate is sourced from PubChem (CID 14122304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).