(2-oxo-1,3-dioxolan-4-yl)methyl prop-2-enyl carbonate

C8H10O6 — CID 12865910

IUPAC(2-oxo-1,3-dioxolan-4-yl)methyl prop-2-enyl carbonate
SMILESC=CCOC(=O)OCC1COC(=O)O1
InChIInChI=1S/C8H10O6/c1-2-3-11-7(9)12-4-6-5-13-8(10)14-6/h2,6H,1,3-5H2
InChIKeyILERYTYZYVYEQK-UHFFFAOYSA-N
MW202.16 g/mol
LogP0.86
Rot. Bonds4

About (2-oxo-1,3-dioxolan-4-yl)methyl prop-2-enyl carbonate

(2-oxo-1,3-dioxolan-4-yl)methyl prop-2-enyl carbonate (PubChem CID 12865910) has the molecular formula C8H10O6 and a molecular weight of 202.16 g/mol. Its IUPAC name is (2-oxo-1,3-dioxolan-4-yl)methyl prop-2-enyl carbonate.

Molecular Properties

Compound Name(2-oxo-1,3-dioxolan-4-yl)methyl prop-2-enyl carbonate
PubChem CID12865910
Molecular FormulaC8H10O6
Molecular Weight202.16 g/mol
Exact Mass202.05
IUPAC Name(2-oxo-1,3-dioxolan-4-yl)methyl prop-2-enyl carbonate
SMILESC=CCOC(=O)OCC1COC(=O)O1
InChIInChI=1S/C8H10O6/c1-2-3-11-7(9)12-4-6-5-13-8(10)14-6/h2,6H,1,3-5H2
InChIKeyILERYTYZYVYEQK-UHFFFAOYSA-N
XLogP0.86
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-((Prop-2-en-1-yloxy)methyl)-1,3-dioxolan-2-one
CID 12865911
2-Prop-2-enoxycarbonyloxyethyl prop-2-enyl carbonate
CID 227552
4-[(Allyloxy)methyl]-2,2-dimethyl-1,3-dioxolane
CID 2780154
Allyl glycidyl carbonate
CID 6612777
(4S)-2,2-dimethyl-4-(prop-2-enoxymethyl)-1,3-dioxolane
CID 7003814
5-(Allyloxy)-1,3-dioxan-2-one
CID 71407872
(4R)-2,2-dimethyl-4-(prop-2-enoxymethyl)-1,3-dioxolane
CID 7003813
4-Allyloxymethyl-2-vinyl-1,3-dioxolane
CID 13237943
(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl prop-2-enyl carbonate
CID 101966893
1-[(2-Ethyl-2-methyl-1,3-dioxolan-4-yl)methoxy]prop-2-ene
CID 4623933
1,3-Dioxolane, 2-methoxy-2-methyl-4-[(2-propenyloxy)methyl]-
CID 11052388
4-(Prop-2-enoxymethyl)-1,3-dioxolane
CID 14250087

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1,3-dioxolan-4-yl)methyl prop-2-enyl carbonate?
The IUPAC name of (2-oxo-1,3-dioxolan-4-yl)methyl prop-2-enyl carbonate (CID 12865910) is (2-oxo-1,3-dioxolan-4-yl)methyl prop-2-enyl carbonate.
What is the SMILES notation for (2-oxo-1,3-dioxolan-4-yl)methyl prop-2-enyl carbonate?
The canonical SMILES for (2-oxo-1,3-dioxolan-4-yl)methyl prop-2-enyl carbonate is C=CCOC(=O)OCC1COC(=O)O1.
What is the InChIKey of (2-oxo-1,3-dioxolan-4-yl)methyl prop-2-enyl carbonate?
The InChIKey is ILERYTYZYVYEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O6/c1-2-3-11-7(9)12-4-6-5-13-8(10)14-6/h2,6H,1,3-5H2.
What are the key properties of (2-oxo-1,3-dioxolan-4-yl)methyl prop-2-enyl carbonate?
(2-oxo-1,3-dioxolan-4-yl)methyl prop-2-enyl carbonate has a molecular weight of 202.16 g/mol, XLogP of 0.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1,3-dioxolan-4-yl)methyl prop-2-enyl carbonate is sourced from PubChem (CID 12865910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).