2,2,4,5-tetramethyl-1,3-dioxole

C7H12O2 — CID 13058525

IUPAC2,2,4,5-tetramethyl-1,3-dioxole
SMILESCC1=C(C)OC(C)(C)O1
InChIInChI=1S/C7H12O2/c1-5-6(2)9-7(3,4)8-5/h1-4H3
InChIKeyFTMHOIXGENAJBF-UHFFFAOYSA-N
MW128.17 g/mol
LogP2.02
Rot. Bonds

About 2,2,4,5-tetramethyl-1,3-dioxole

2,2,4,5-tetramethyl-1,3-dioxole (PubChem CID 13058525) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 2,2,4,5-tetramethyl-1,3-dioxole.

Molecular Properties

Compound Name2,2,4,5-tetramethyl-1,3-dioxole
PubChem CID13058525
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name2,2,4,5-tetramethyl-1,3-dioxole
SMILESCC1=C(C)OC(C)(C)O1
InChIInChI=1S/C7H12O2/c1-5-6(2)9-7(3,4)8-5/h1-4H3
InChIKeyFTMHOIXGENAJBF-UHFFFAOYSA-N
XLogP2.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,5-tetramethyl-1,3-dioxole?
The IUPAC name of 2,2,4,5-tetramethyl-1,3-dioxole (CID 13058525) is 2,2,4,5-tetramethyl-1,3-dioxole.
What is the SMILES notation for 2,2,4,5-tetramethyl-1,3-dioxole?
The canonical SMILES for 2,2,4,5-tetramethyl-1,3-dioxole is CC1=C(C)OC(C)(C)O1.
What is the InChIKey of 2,2,4,5-tetramethyl-1,3-dioxole?
The InChIKey is FTMHOIXGENAJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-5-6(2)9-7(3,4)8-5/h1-4H3.
What are the key properties of 2,2,4,5-tetramethyl-1,3-dioxole?
2,2,4,5-tetramethyl-1,3-dioxole has a molecular weight of 128.17 g/mol, XLogP of 2.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,5-tetramethyl-1,3-dioxole is sourced from PubChem (CID 13058525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).