ethene;methane;(4Z)-4-[(2-oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one;propane-1,2,3-triol

C16H30O9 — CID 159416319

IUPACethene;methane;(4Z)-4-[(2-oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one;propane-1,2,3-triol
SMILESC.C.C=C.C=C.O=C1OC/C(=C/C2COC(=O)O2)O1.OCC(O)CO
InChIInChI=1S/C7H6O6.C3H8O3.2C2H4.2CH4/c8-6-10-2-4(12-6)1-5-3-11-7(9)13-5;4-1-3(6)2-5;2*1-2;;/h1,4H,2-3H2;3-6H,1-2H2;2*1-2H2;2*1H4/b5-1-;;;;;
InChIKeyLPFABQAVEIDEEY-IRWZDBMQSA-N
MW366.41 g/mol
LogP1.78
Rot. Bonds3

About ethene;methane;(4Z)-4-[(2-oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one;propane-1,2,3-triol

ethene;methane;(4Z)-4-[(2-oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one;propane-1,2,3-triol (PubChem CID 159416319) has the molecular formula C16H30O9 and a molecular weight of 366.41 g/mol. Its IUPAC name is ethene;methane;(4Z)-4-[(2-oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one;propane-1,2,3-triol.

Molecular Properties

Compound Nameethene;methane;(4Z)-4-[(2-oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one;propane-1,2,3-triol
PubChem CID159416319
Molecular FormulaC16H30O9
Molecular Weight366.41 g/mol
Exact Mass366.19
IUPAC Nameethene;methane;(4Z)-4-[(2-oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one;propane-1,2,3-triol
SMILESC.C.C=C.C=C.O=C1OC/C(=C/C2COC(=O)O2)O1.OCC(O)CO
InChIInChI=1S/C7H6O6.C3H8O3.2C2H4.2CH4/c8-6-10-2-4(12-6)1-5-3-11-7(9)13-5;4-1-3(6)2-5;2*1-2;;/h1,4H,2-3H2;3-6H,1-2H2;2*1-2H2;2*1H4/b5-1-;;;;;
InChIKeyLPFABQAVEIDEEY-IRWZDBMQSA-N
XLogP1.78
TPSA131.75 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

[1-(Hydroxymethyl)-3-methoxycarbonyloxy-7-oxabicyclo[2.2.1]hepta-2,5-dien-2-yl] methyl carbonate
CID 70199559
buta-1,2,3-triene;ethene;4-ethenyl-1,3-dioxolan-2-one;methane;(4Z)-4-[(2-oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one
CID 159238372
buta-1,2,3-triene;ethene;methane;(4Z)-4-[(2-oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one;propane-1,2,3-triol
CID 160902003
ethene;4-ethenyl-1,3-dioxolan-2-one;(4Z)-4-[(2-oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one
CID 162119918

Frequently Asked Questions

What is the IUPAC name of ethene;methane;(4Z)-4-[(2-oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one;propane-1,2,3-triol?
The IUPAC name of ethene;methane;(4Z)-4-[(2-oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one;propane-1,2,3-triol (CID 159416319) is ethene;methane;(4Z)-4-[(2-oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one;propane-1,2,3-triol.
What is the SMILES notation for ethene;methane;(4Z)-4-[(2-oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one;propane-1,2,3-triol?
The canonical SMILES for ethene;methane;(4Z)-4-[(2-oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one;propane-1,2,3-triol is C.C.C=C.C=C.O=C1OC/C(=C/C2COC(=O)O2)O1.OCC(O)CO.
What is the InChIKey of ethene;methane;(4Z)-4-[(2-oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one;propane-1,2,3-triol?
The InChIKey is LPFABQAVEIDEEY-IRWZDBMQSA-N. The full InChI is InChI=1S/C7H6O6.C3H8O3.2C2H4.2CH4/c8-6-10-2-4(12-6)1-5-3-11-7(9)13-5;4-1-3(6)2-5;2*1-2;;/h1,4H,2-3H2;3-6H,1-2H2;2*1-2H2;2*1H4/b5-1-;;;;;.
What are the key properties of ethene;methane;(4Z)-4-[(2-oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one;propane-1,2,3-triol?
ethene;methane;(4Z)-4-[(2-oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one;propane-1,2,3-triol has a molecular weight of 366.41 g/mol, XLogP of 1.78, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;methane;(4Z)-4-[(2-oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one;propane-1,2,3-triol is sourced from PubChem (CID 159416319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).