3,3-dimethyldioxolane-4,4-diol

C5H10O4 — CID 19069932

IUPAC3,3-dimethyldioxolane-4,4-diol
SMILESCC1(C)OOCC1(O)O
InChIInChI=1S/C5H10O4/c1-4(2)5(6,7)3-8-9-4/h6-7H,3H2,1-2H3
InChIKeyOYKFBDBDQUCYPM-UHFFFAOYSA-N
MW134.13 g/mol
LogP-0.59
Rot. Bonds

About 3,3-dimethyldioxolane-4,4-diol

3,3-dimethyldioxolane-4,4-diol (PubChem CID 19069932) has the molecular formula C5H10O4 and a molecular weight of 134.13 g/mol. Its IUPAC name is 3,3-dimethyldioxolane-4,4-diol.

Molecular Properties

Compound Name3,3-dimethyldioxolane-4,4-diol
PubChem CID19069932
Molecular FormulaC5H10O4
Molecular Weight134.13 g/mol
Exact Mass134.06
IUPAC Name3,3-dimethyldioxolane-4,4-diol
SMILESCC1(C)OOCC1(O)O
InChIInChI=1S/C5H10O4/c1-4(2)5(6,7)3-8-9-4/h6-7H,3H2,1-2H3
InChIKeyOYKFBDBDQUCYPM-UHFFFAOYSA-N
XLogP-0.59
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.13
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

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3-methyl-3-(oxetan-3-yl)dioxetane
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2,4,4,5,5-pentamethyl-1,3-dioxolan-2-ol
CID 71403401
(3S,3aR,6R,6aS)-3,6-dimethyl-2,3a,5,6a-tetrahydrofuro[3,2-b]furan-3,6-diol
CID 68824826
diiodovanadium;2,2-dimethyloxirane
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5,5-dimethyl-1,3,2-dioxaphosphinane;molecular hydrogen;yttrium
CID 156748573
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexan-1-ol
CID 115035375
3-methyl-2,4-dioxabicyclo[1.1.0]butan-1-ol
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(2,2,3-trimethyloxetan-3-yl)methanol
CID 102216721
(3R)-3,4,4-trimethyloxan-3-ol
CID 167089912

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyldioxolane-4,4-diol?
The IUPAC name of 3,3-dimethyldioxolane-4,4-diol (CID 19069932) is 3,3-dimethyldioxolane-4,4-diol.
What is the SMILES notation for 3,3-dimethyldioxolane-4,4-diol?
The canonical SMILES for 3,3-dimethyldioxolane-4,4-diol is CC1(C)OOCC1(O)O.
What is the InChIKey of 3,3-dimethyldioxolane-4,4-diol?
The InChIKey is OYKFBDBDQUCYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O4/c1-4(2)5(6,7)3-8-9-4/h6-7H,3H2,1-2H3.
What are the key properties of 3,3-dimethyldioxolane-4,4-diol?
3,3-dimethyldioxolane-4,4-diol has a molecular weight of 134.13 g/mol, XLogP of -0.59, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyldioxolane-4,4-diol is sourced from PubChem (CID 19069932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).