acetylene;diethyl carbonate

C7H12O3 — CID 87073597

IUPACacetylene;diethyl carbonate
SMILESC#C.CCOC(=O)OCC
InChIInChI=1S/C5H10O3.C2H2/c1-3-7-5(6)8-4-2;1-2/h3-4H2,1-2H3;1-2H
InChIKeyUXCQXLXTTZVHJD-UHFFFAOYSA-N
MW144.17 g/mol
LogP1.43
Rot. Bonds2

About acetylene;diethyl carbonate

acetylene;diethyl carbonate (PubChem CID 87073597) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is acetylene;diethyl carbonate.

Molecular Properties

Compound Nameacetylene;diethyl carbonate
PubChem CID87073597
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Nameacetylene;diethyl carbonate
SMILESC#C.CCOC(=O)OCC
InChIInChI=1S/C5H10O3.C2H2/c1-3-7-5(6)8-4-2;1-2/h3-4H2,1-2H3;1-2H
InChIKeyUXCQXLXTTZVHJD-UHFFFAOYSA-N
XLogP1.43
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 175796855
CID 175796855
magnesium;diethyl carbonate;hydride
CID 173249173
diethyl carbonate;ethane-1,2-diol
CID 19764063
diethyl carbonate;N,N-dimethylmethanamine
CID 88502244
ethoxycarbonyloxymethoxymethyl ethyl carbonate
CID 142756637
diethyl carbonate;dimethyl carbonate;ethyl methyl carbonate
CID 87546918
carbonic acid;diethyl carbonate;ethyl acetate
CID 174801545
ethyl fluoro carbonate
CID 18542699
(2-chloro-2-oxoethyl) ethyl carbonate
CID 90058161
ethyl 2-oxoethyl carbonate
CID 87169722
2-(ethoxycarbonyloxymethyl)prop-2-enyl ethyl carbonate
CID 10922384
CID 175269376
CID 175269376

Frequently Asked Questions

What is the IUPAC name of acetylene;diethyl carbonate?
The IUPAC name of acetylene;diethyl carbonate (CID 87073597) is acetylene;diethyl carbonate.
What is the SMILES notation for acetylene;diethyl carbonate?
The canonical SMILES for acetylene;diethyl carbonate is C#C.CCOC(=O)OCC.
What is the InChIKey of acetylene;diethyl carbonate?
The InChIKey is UXCQXLXTTZVHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3.C2H2/c1-3-7-5(6)8-4-2;1-2/h3-4H2,1-2H3;1-2H.
What are the key properties of acetylene;diethyl carbonate?
acetylene;diethyl carbonate has a molecular weight of 144.17 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;diethyl carbonate is sourced from PubChem (CID 87073597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).