4-(propoxymethyl)-1,3-dioxol-2-one

C7H10O4 — CID 141316236

IUPAC4-(propoxymethyl)-1,3-dioxol-2-one
SMILESCCCOCc1coc(=O)o1
InChIInChI=1S/C7H10O4/c1-2-3-9-4-6-5-10-7(8)11-6/h5H,2-4H2,1H3
InChIKeyCBOKFDMFMFWVKM-UHFFFAOYSA-N
MW158.15 g/mol
LogP1.16
Rot. Bonds4

About 4-(propoxymethyl)-1,3-dioxol-2-one

4-(propoxymethyl)-1,3-dioxol-2-one (PubChem CID 141316236) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is 4-(propoxymethyl)-1,3-dioxol-2-one.

Molecular Properties

Compound Name4-(propoxymethyl)-1,3-dioxol-2-one
PubChem CID141316236
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Name4-(propoxymethyl)-1,3-dioxol-2-one
SMILESCCCOCc1coc(=O)o1
InChIInChI=1S/C7H10O4/c1-2-3-9-4-6-5-10-7(8)11-6/h5H,2-4H2,1H3
InChIKeyCBOKFDMFMFWVKM-UHFFFAOYSA-N
XLogP1.16
TPSA52.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-Methylen-2,2-dimethyl-1,3-dioxolane
CID 12409146
4-[(Acetyloxy)methyl]-5-methyl-1,3-dioxol-2-one
CID 19611268
2,2-Dimethoxy-4-methylene-1,3-dioxolane
CID 21677531
2-Ethyl-2-methyl-4-methylene-1,3-dioxolane
CID 12409157
4-(2,2,2-Trifluoroethoxymethyl)-1,3-dioxol-2-one
CID 139390777
4-(3,3-Difluorobutoxymethyl)-1,3-dioxol-2-one
CID 153312352
4-(1,1,2,2-Tetrafluoropropoxymethyl)-1,3-dioxol-2-one
CID 153312354
4-(3,3,3-Trifluoropropoxymethyl)-1,3-dioxol-2-one
CID 153312367
4-(2,2-Difluoropropoxymethyl)-1,3-dioxol-2-one
CID 153312370
4-[(2,3,3,3-Tetrafluoro-2-methoxypropoxy)methyl]-1,3-dioxol-2-one
CID 153312390
4-(1-Fluoroethenoxymethyl)-2,2-dimethyl-1,3-dioxole
CID 154637590
2-Methoxymethyl-2-methyl-4-methylene-1,3-di-oxolane
CID 12409158

Frequently Asked Questions

What is the IUPAC name of 4-(propoxymethyl)-1,3-dioxol-2-one?
The IUPAC name of 4-(propoxymethyl)-1,3-dioxol-2-one (CID 141316236) is 4-(propoxymethyl)-1,3-dioxol-2-one.
What is the SMILES notation for 4-(propoxymethyl)-1,3-dioxol-2-one?
The canonical SMILES for 4-(propoxymethyl)-1,3-dioxol-2-one is CCCOCc1coc(=O)o1.
What is the InChIKey of 4-(propoxymethyl)-1,3-dioxol-2-one?
The InChIKey is CBOKFDMFMFWVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O4/c1-2-3-9-4-6-5-10-7(8)11-6/h5H,2-4H2,1H3.
What are the key properties of 4-(propoxymethyl)-1,3-dioxol-2-one?
4-(propoxymethyl)-1,3-dioxol-2-one has a molecular weight of 158.15 g/mol, XLogP of 1.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propoxymethyl)-1,3-dioxol-2-one is sourced from PubChem (CID 141316236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).