2-methyl-1,3-dioxolane

C4H8O2 — CID 10342

IUPAC2-methyl-1,3-dioxolane
SMILESCC1OCCO1
InChIInChI=1S/C4H8O2/c1-4-5-2-3-6-4/h4H,2-3H2,1H3
InChIKeyHTWIZMNMTWYQRN-UHFFFAOYSA-N
MW88.11 g/mol
LogP0.38
Rot. Bonds

About 2-methyl-1,3-dioxolane

2-methyl-1,3-dioxolane (PubChem CID 10342) has the molecular formula C4H8O2 and a molecular weight of 88.11 g/mol. Its IUPAC name is 2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-methyl-1,3-dioxolane
PubChem CID10342
Molecular FormulaC4H8O2
Molecular Weight88.11 g/mol
Exact Mass88.05
IUPAC Name2-methyl-1,3-dioxolane
SMILESCC1OCCO1
InChIInChI=1S/C4H8O2/c1-4-5-2-3-6-4/h4H,2-3H2,1H3
InChIKeyHTWIZMNMTWYQRN-UHFFFAOYSA-N
XLogP0.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.11
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-Dimethyl-1,3-dioxolane
CID 102993
4-Methyl-2-propyl-1,3-dioxolane
CID 98218
2-Ethyl-4-methyl-1,3-dioxolane
CID 92210
2-Ethyl-2-methyl-1,3-dioxolane
CID 61067
2,4,5-Trimethyl-1,3-dioxolane
CID 102967
1,1,2-Triethoxyethane
CID 43390
2,2-Dimethyl-1,3-dioxolane
CID 76209
2-Propyl-1,3-dioxolane
CID 179832
2-Isopropyl-1,3-dioxolane
CID 13201
2-Butyl-1,3-dioxolane
CID 521146
2-Methoxy-1,3-dioxolane
CID 29744
2-Ethyl-1,3-dioxolane
CID 17381

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-dioxolane?
The IUPAC name of 2-methyl-1,3-dioxolane (CID 10342) is 2-methyl-1,3-dioxolane.
What is the SMILES notation for 2-methyl-1,3-dioxolane?
The canonical SMILES for 2-methyl-1,3-dioxolane is CC1OCCO1.
What is the InChIKey of 2-methyl-1,3-dioxolane?
The InChIKey is HTWIZMNMTWYQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2/c1-4-5-2-3-6-4/h4H,2-3H2,1H3.
What are the key properties of 2-methyl-1,3-dioxolane?
2-methyl-1,3-dioxolane has a molecular weight of 88.11 g/mol, XLogP of 0.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-dioxolane is sourced from PubChem (CID 10342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).