(2-methyl-1,3-dioxolan-4-yl) formate

C5H8O4 — CID 175326174

IUPAC(2-methyl-1,3-dioxolan-4-yl) formate
SMILESCC1OCC(OC=O)O1
InChIInChI=1S/C5H8O4/c1-4-7-2-5(9-4)8-3-6/h3-5H,2H2,1H3
InChIKeyPJDGKIXLHJQSMA-UHFFFAOYSA-N
MW132.12 g/mol
LogP-0.12
Rot. Bonds2

About (2-methyl-1,3-dioxolan-4-yl) formate

(2-methyl-1,3-dioxolan-4-yl) formate (PubChem CID 175326174) has the molecular formula C5H8O4 and a molecular weight of 132.12 g/mol. Its IUPAC name is (2-methyl-1,3-dioxolan-4-yl) formate.

Molecular Properties

Compound Name(2-methyl-1,3-dioxolan-4-yl) formate
PubChem CID175326174
Molecular FormulaC5H8O4
Molecular Weight132.12 g/mol
Exact Mass132.04
IUPAC Name(2-methyl-1,3-dioxolan-4-yl) formate
SMILESCC1OCC(OC=O)O1
InChIInChI=1S/C5H8O4/c1-4-7-2-5(9-4)8-3-6/h3-5H,2H2,1H3
InChIKeyPJDGKIXLHJQSMA-UHFFFAOYSA-N
XLogP-0.12
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.12
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-2-methyl-1,3-dioxolane
CID 137456725
oxetan-2-yl formate
CID 54348589
2-methyl-4-tritio-1,3-dioxolane-4-carbaldehyde
CID 173256593
2-[(2-methyl-1,3-dioxolan-4-yl)oxy]butan-1-ol
CID 138705293
2,4-dimethyl-1,3-dioxolane;methane
CID 162253939
1,3-dioxan-4-yl formate
CID 172814477
morpholin-2-yl formate
CID 91405229
methyl 2-methyl-1,3-dioxolane-4-carboxylate
CID 18964615
(4,5-dihydroxy-6-methoxyoxan-2-yl) formate
CID 89225737
1-(2-methyl-1,3-dioxolan-4-yl)ethanethione
CID 172574508
(E)-4-(5-hydroxy-2-methyl-1,3-dioxan-4-yl)but-3-en-2-one
CID 130142214
[(2S,3S,4R,5S,6S)-3-bromo-2,5-dimethoxy-6-methyloxan-4-yl] formate
CID 23239783

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-dioxolan-4-yl) formate?
The IUPAC name of (2-methyl-1,3-dioxolan-4-yl) formate (CID 175326174) is (2-methyl-1,3-dioxolan-4-yl) formate.
What is the SMILES notation for (2-methyl-1,3-dioxolan-4-yl) formate?
The canonical SMILES for (2-methyl-1,3-dioxolan-4-yl) formate is CC1OCC(OC=O)O1.
What is the InChIKey of (2-methyl-1,3-dioxolan-4-yl) formate?
The InChIKey is PJDGKIXLHJQSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O4/c1-4-7-2-5(9-4)8-3-6/h3-5H,2H2,1H3.
What are the key properties of (2-methyl-1,3-dioxolan-4-yl) formate?
(2-methyl-1,3-dioxolan-4-yl) formate has a molecular weight of 132.12 g/mol, XLogP of -0.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-dioxolan-4-yl) formate is sourced from PubChem (CID 175326174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).