(3-ethenoxy-1-ethoxycarbonyloxypropyl) ethyl carbonate

C11H18O7 — CID 139652078

IUPAC(3-ethenoxy-1-ethoxycarbonyloxypropyl) ethyl carbonate
SMILESC=COCCC(OC(=O)OCC)OC(=O)OCC
InChIInChI=1S/C11H18O7/c1-4-14-8-7-9(17-10(12)15-5-2)18-11(13)16-6-3/h4,9H,1,5-8H2,2-3H3
InChIKeyVBRFTBXYBNXHQO-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.21
Rot. Bonds8

About (3-ethenoxy-1-ethoxycarbonyloxypropyl) ethyl carbonate

(3-ethenoxy-1-ethoxycarbonyloxypropyl) ethyl carbonate (PubChem CID 139652078) has the molecular formula C11H18O7 and a molecular weight of 262.26 g/mol. Its IUPAC name is (3-ethenoxy-1-ethoxycarbonyloxypropyl) ethyl carbonate.

Molecular Properties

Compound Name(3-ethenoxy-1-ethoxycarbonyloxypropyl) ethyl carbonate
PubChem CID139652078
Molecular FormulaC11H18O7
Molecular Weight262.26 g/mol
Exact Mass262.11
IUPAC Name(3-ethenoxy-1-ethoxycarbonyloxypropyl) ethyl carbonate
SMILESC=COCCC(OC(=O)OCC)OC(=O)OCC
InChIInChI=1S/C11H18O7/c1-4-14-8-7-9(17-10(12)15-5-2)18-11(13)16-6-3/h4,9H,1,5-8H2,2-3H3
InChIKeyVBRFTBXYBNXHQO-UHFFFAOYSA-N
XLogP2.21
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-ethenoxy-1-ethoxycarbonyloxypropyl) ethyl carbonate?
The IUPAC name of (3-ethenoxy-1-ethoxycarbonyloxypropyl) ethyl carbonate (CID 139652078) is (3-ethenoxy-1-ethoxycarbonyloxypropyl) ethyl carbonate.
What is the SMILES notation for (3-ethenoxy-1-ethoxycarbonyloxypropyl) ethyl carbonate?
The canonical SMILES for (3-ethenoxy-1-ethoxycarbonyloxypropyl) ethyl carbonate is C=COCCC(OC(=O)OCC)OC(=O)OCC.
What is the InChIKey of (3-ethenoxy-1-ethoxycarbonyloxypropyl) ethyl carbonate?
The InChIKey is VBRFTBXYBNXHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O7/c1-4-14-8-7-9(17-10(12)15-5-2)18-11(13)16-6-3/h4,9H,1,5-8H2,2-3H3.
What are the key properties of (3-ethenoxy-1-ethoxycarbonyloxypropyl) ethyl carbonate?
(3-ethenoxy-1-ethoxycarbonyloxypropyl) ethyl carbonate has a molecular weight of 262.26 g/mol, XLogP of 2.21, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethenoxy-1-ethoxycarbonyloxypropyl) ethyl carbonate is sourced from PubChem (CID 139652078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).