carbonic acid;diethyl carbonate;1,3-dioxolan-2-one;prop-1-ene

C12H22O9 — CID 174573576

IUPACcarbonic acid;diethyl carbonate;1,3-dioxolan-2-one;prop-1-ene
SMILESC=CC.CCOC(=O)OCC.O=C(O)O.O=C1OCCO1
InChIInChI=1S/C5H10O3.C3H4O3.C3H6.CH2O3/c1-3-7-5(6)8-4-2;4-3-5-1-2-6-3;1-3-2;2-1(3)4/h3-4H2,1-2H3;1-2H2;3H,1H2,2H3;(H2,2,3,4)
InChIKeyVOBIDHAAIUMEOW-UHFFFAOYSA-N
MW310.30 g/mol
LogP2.75
Rot. Bonds2

About carbonic acid;diethyl carbonate;1,3-dioxolan-2-one;prop-1-ene

carbonic acid;diethyl carbonate;1,3-dioxolan-2-one;prop-1-ene (PubChem CID 174573576) has the molecular formula C12H22O9 and a molecular weight of 310.30 g/mol. Its IUPAC name is carbonic acid;diethyl carbonate;1,3-dioxolan-2-one;prop-1-ene.

Molecular Properties

Compound Namecarbonic acid;diethyl carbonate;1,3-dioxolan-2-one;prop-1-ene
PubChem CID174573576
Molecular FormulaC12H22O9
Molecular Weight310.30 g/mol
Exact Mass310.13
IUPAC Namecarbonic acid;diethyl carbonate;1,3-dioxolan-2-one;prop-1-ene
SMILESC=CC.CCOC(=O)OCC.O=C(O)O.O=C1OCCO1
InChIInChI=1S/C5H10O3.C3H4O3.C3H6.CH2O3/c1-3-7-5(6)8-4-2;4-3-5-1-2-6-3;1-3-2;2-1(3)4/h3-4H2,1-2H3;1-2H2;3H,1H2,2H3;(H2,2,3,4)
InChIKeyVOBIDHAAIUMEOW-UHFFFAOYSA-N
XLogP2.75
TPSA128.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

dimethyl carbonate;1,3-dioxolan-2-one;ethyl methyl carbonate;4-methyl-1,3-dioxolan-2-one
CID 174559201
carbonic acid;diethyl carbonate;ethenyl acetate
CID 174977930
1,3-dioxonan-2-one;ethyl carbamate;urea
CID 155436579
1,3-dioxolan-2-one;ethane;propane
CID 91581016
CID 175796855
CID 175796855
carbonic acid;prop-1-ene;trihydrofluoride
CID 174985064
carbonic acid;[(E)-2-carboxyoxyethenyl] hydrogen carbonate;diethyl carbonate;fluoroethene
CID 173077026
ethyl methyl carbonate;4-fluoro-1,3-dioxolan-2-one;fluoroethene
CID 162241357
carbonic acid;diethyl carbonate;ethyl acetate
CID 174801545
1,3-dioxolan-2-one;2-methylprop-2-enoate;perchloric acid;prop-1-ene;tris(tetraethylazanium);carbonate
CID 157165826
ethyl [(E)-(2-oxooxolan-3-ylidene)methyl] carbonate
CID 10375167
magnesium;diethyl carbonate;hydride
CID 173249173

Frequently Asked Questions

What is the IUPAC name of carbonic acid;diethyl carbonate;1,3-dioxolan-2-one;prop-1-ene?
The IUPAC name of carbonic acid;diethyl carbonate;1,3-dioxolan-2-one;prop-1-ene (CID 174573576) is carbonic acid;diethyl carbonate;1,3-dioxolan-2-one;prop-1-ene.
What is the SMILES notation for carbonic acid;diethyl carbonate;1,3-dioxolan-2-one;prop-1-ene?
The canonical SMILES for carbonic acid;diethyl carbonate;1,3-dioxolan-2-one;prop-1-ene is C=CC.CCOC(=O)OCC.O=C(O)O.O=C1OCCO1.
What is the InChIKey of carbonic acid;diethyl carbonate;1,3-dioxolan-2-one;prop-1-ene?
The InChIKey is VOBIDHAAIUMEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3.C3H4O3.C3H6.CH2O3/c1-3-7-5(6)8-4-2;4-3-5-1-2-6-3;1-3-2;2-1(3)4/h3-4H2,1-2H3;1-2H2;3H,1H2,2H3;(H2,2,3,4).
What are the key properties of carbonic acid;diethyl carbonate;1,3-dioxolan-2-one;prop-1-ene?
carbonic acid;diethyl carbonate;1,3-dioxolan-2-one;prop-1-ene has a molecular weight of 310.30 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;diethyl carbonate;1,3-dioxolan-2-one;prop-1-ene is sourced from PubChem (CID 174573576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).