4,4,5,5-tetramethyl-1,3-dioxolan-2-ol

C7H14O3 — CID 58995084

IUPAC4,4,5,5-tetramethyl-1,3-dioxolan-2-ol
SMILESCC1(C)OC(O)OC1(C)C
InChIInChI=1S/C7H14O3/c1-6(2)7(3,4)10-5(8)9-6/h5,8H,1-4H3
InChIKeyAJLUMPSFBGFHLT-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.87
Rot. Bonds

About 4,4,5,5-tetramethyl-1,3-dioxolan-2-ol

4,4,5,5-tetramethyl-1,3-dioxolan-2-ol (PubChem CID 58995084) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-1,3-dioxolan-2-ol.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-1,3-dioxolan-2-ol
PubChem CID58995084
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name4,4,5,5-tetramethyl-1,3-dioxolan-2-ol
SMILESCC1(C)OC(O)OC1(C)C
InChIInChI=1S/C7H14O3/c1-6(2)7(3,4)10-5(8)9-6/h5,8H,1-4H3
InChIKeyAJLUMPSFBGFHLT-UHFFFAOYSA-N
XLogP0.87
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-1,3-dioxolan-2-ol?
The IUPAC name of 4,4,5,5-tetramethyl-1,3-dioxolan-2-ol (CID 58995084) is 4,4,5,5-tetramethyl-1,3-dioxolan-2-ol.
What is the SMILES notation for 4,4,5,5-tetramethyl-1,3-dioxolan-2-ol?
The canonical SMILES for 4,4,5,5-tetramethyl-1,3-dioxolan-2-ol is CC1(C)OC(O)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-1,3-dioxolan-2-ol?
The InChIKey is AJLUMPSFBGFHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-6(2)7(3,4)10-5(8)9-6/h5,8H,1-4H3.
What are the key properties of 4,4,5,5-tetramethyl-1,3-dioxolan-2-ol?
4,4,5,5-tetramethyl-1,3-dioxolan-2-ol has a molecular weight of 146.19 g/mol, XLogP of 0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-1,3-dioxolan-2-ol is sourced from PubChem (CID 58995084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).