(1-ethenylcyclopropyl) ethyl carbonate

C8H12O3 — CID 11829684

IUPAC(1-ethenylcyclopropyl) ethyl carbonate
SMILESC=CC1(OC(=O)OCC)CC1
InChIInChI=1S/C8H12O3/c1-3-8(5-6-8)11-7(9)10-4-2/h3H,1,4-6H2,2H3
InChIKeyLXXYBIJCLHGFPO-UHFFFAOYSA-N
MW156.18 g/mol
LogP1.88
Rot. Bonds3

About (1-ethenylcyclopropyl) ethyl carbonate

(1-ethenylcyclopropyl) ethyl carbonate (PubChem CID 11829684) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is (1-ethenylcyclopropyl) ethyl carbonate.

Molecular Properties

Compound Name(1-ethenylcyclopropyl) ethyl carbonate
PubChem CID11829684
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name(1-ethenylcyclopropyl) ethyl carbonate
SMILESC=CC1(OC(=O)OCC)CC1
InChIInChI=1S/C8H12O3/c1-3-8(5-6-8)11-7(9)10-4-2/h3H,1,4-6H2,2H3
InChIKeyLXXYBIJCLHGFPO-UHFFFAOYSA-N
XLogP1.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 51.88
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 (1-ethenylcyclopropyl) ethyl carbonate?
The IUPAC name of (1-ethenylcyclopropyl) ethyl carbonate (CID 11829684) is (1-ethenylcyclopropyl) ethyl carbonate.
What is the SMILES notation for (1-ethenylcyclopropyl) ethyl carbonate?
The canonical SMILES for (1-ethenylcyclopropyl) ethyl carbonate is C=CC1(OC(=O)OCC)CC1.
What is the InChIKey of (1-ethenylcyclopropyl) ethyl carbonate?
The InChIKey is LXXYBIJCLHGFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-3-8(5-6-8)11-7(9)10-4-2/h3H,1,4-6H2,2H3.
What are the key properties of (1-ethenylcyclopropyl) ethyl carbonate?
(1-ethenylcyclopropyl) ethyl carbonate has a molecular weight of 156.18 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethenylcyclopropyl) ethyl carbonate is sourced from PubChem (CID 11829684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).