4-(prop-1-en-2-yloxymethyl)-1,3-dioxolan-2-one

C7H10O4 — CID 23506120

IUPAC4-(prop-1-en-2-yloxymethyl)-1,3-dioxolan-2-one
SMILESC=C(C)OCC1COC(=O)O1
InChIInChI=1S/C7H10O4/c1-5(2)9-3-6-4-10-7(8)11-6/h6H,1,3-4H2,2H3
InChIKeyHKHHNSDNKRXITP-UHFFFAOYSA-N
MW158.15 g/mol
LogP1.07
Rot. Bonds3

About 4-(prop-1-en-2-yloxymethyl)-1,3-dioxolan-2-one

4-(prop-1-en-2-yloxymethyl)-1,3-dioxolan-2-one (PubChem CID 23506120) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is 4-(prop-1-en-2-yloxymethyl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-(prop-1-en-2-yloxymethyl)-1,3-dioxolan-2-one
PubChem CID23506120
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Name4-(prop-1-en-2-yloxymethyl)-1,3-dioxolan-2-one
SMILESC=C(C)OCC1COC(=O)O1
InChIInChI=1S/C7H10O4/c1-5(2)9-3-6-4-10-7(8)11-6/h6H,1,3-4H2,2H3
InChIKeyHKHHNSDNKRXITP-UHFFFAOYSA-N
XLogP1.07
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-Vinyloxyethoxy)-1,2 propylene carbonate
CID 11769273
4-{[(Propan-2-yl)oxy]methyl}-1,3-dioxolan-2-one
CID 42610261
4-((Prop-1-en-1-yloxy)methyl)-1,3-dioxolan-2-one
CID 6049887
(2-Oxo-1,3-dioxolan-4-yl)methyl vinyl ether
CID 22182157
4-(Prop-1-enoxymethyl)-1,3-dioxolan-2-one
CID 4255657
4-(Propoxymethyl)-1,3-dioxolan-2-one
CID 18353944
4-(Ethoxymethyl)-1,3-dioxolan-2-one
CID 23135856
4-[(2-Methoxyethoxy)methyl]-1,3-dioxolan-2-one
CID 53969523
(2-Oxo-1,3-dioxolan-4-yl)methyl prop-1-enyl carbonate
CID 54354924
[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl ethenyl carbonate
CID 57908131
(2-Methylidene-1,3-dioxolan-4-yl)methyl acetate
CID 57983641
Methyl (2-methylidene-1,3-dioxolan-4-yl)methyl carbonate
CID 58012594

Frequently Asked Questions

What is the IUPAC name of 4-(prop-1-en-2-yloxymethyl)-1,3-dioxolan-2-one?
The IUPAC name of 4-(prop-1-en-2-yloxymethyl)-1,3-dioxolan-2-one (CID 23506120) is 4-(prop-1-en-2-yloxymethyl)-1,3-dioxolan-2-one.
What is the SMILES notation for 4-(prop-1-en-2-yloxymethyl)-1,3-dioxolan-2-one?
The canonical SMILES for 4-(prop-1-en-2-yloxymethyl)-1,3-dioxolan-2-one is C=C(C)OCC1COC(=O)O1.
What is the InChIKey of 4-(prop-1-en-2-yloxymethyl)-1,3-dioxolan-2-one?
The InChIKey is HKHHNSDNKRXITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O4/c1-5(2)9-3-6-4-10-7(8)11-6/h6H,1,3-4H2,2H3.
What are the key properties of 4-(prop-1-en-2-yloxymethyl)-1,3-dioxolan-2-one?
4-(prop-1-en-2-yloxymethyl)-1,3-dioxolan-2-one has a molecular weight of 158.15 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(prop-1-en-2-yloxymethyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 23506120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).