4-methyl-1,3-dioxolan-2-one;oxolane

C12H22O5 — CID 21280178

IUPAC4-methyl-1,3-dioxolan-2-one;oxolane
SMILESC1CCOC1.C1CCOC1.CC1COC(=O)O1
InChIInChI=1S/C4H6O3.2C4H8O/c1-3-2-6-4(5)7-3;2*1-2-4-5-3-1/h3H,2H2,1H3;2*1-4H2
InChIKeyRVHFHXDPGFZCIS-UHFFFAOYSA-N
MW246.30 g/mol
LogP2.14
Rot. Bonds

About 4-methyl-1,3-dioxolan-2-one;oxolane

4-methyl-1,3-dioxolan-2-one;oxolane (PubChem CID 21280178) has the molecular formula C12H22O5 and a molecular weight of 246.30 g/mol. Its IUPAC name is 4-methyl-1,3-dioxolan-2-one;oxolane.

Molecular Properties

Compound Name4-methyl-1,3-dioxolan-2-one;oxolane
PubChem CID21280178
Molecular FormulaC12H22O5
Molecular Weight246.30 g/mol
Exact Mass246.15
IUPAC Name4-methyl-1,3-dioxolan-2-one;oxolane
SMILESC1CCOC1.C1CCOC1.CC1COC(=O)O1
InChIInChI=1S/C4H6O3.2C4H8O/c1-3-2-6-4(5)7-3;2*1-2-4-5-3-1/h3H,2H2,1H3;2*1-4H2
InChIKeyRVHFHXDPGFZCIS-UHFFFAOYSA-N
XLogP2.14
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,3-dioxolan-2-one;oxolane?
The IUPAC name of 4-methyl-1,3-dioxolan-2-one;oxolane (CID 21280178) is 4-methyl-1,3-dioxolan-2-one;oxolane.
What is the SMILES notation for 4-methyl-1,3-dioxolan-2-one;oxolane?
The canonical SMILES for 4-methyl-1,3-dioxolan-2-one;oxolane is C1CCOC1.C1CCOC1.CC1COC(=O)O1.
What is the InChIKey of 4-methyl-1,3-dioxolan-2-one;oxolane?
The InChIKey is RVHFHXDPGFZCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O3.2C4H8O/c1-3-2-6-4(5)7-3;2*1-2-4-5-3-1/h3H,2H2,1H3;2*1-4H2.
What are the key properties of 4-methyl-1,3-dioxolan-2-one;oxolane?
4-methyl-1,3-dioxolan-2-one;oxolane has a molecular weight of 246.30 g/mol, XLogP of 2.14, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,3-dioxolan-2-one;oxolane is sourced from PubChem (CID 21280178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).