(4S,5S)-2,2-dimethyl-1,3-dioxolane-4,5-diol

C5H10O4 — CID 101384233

IUPAC(4S,5S)-2,2-dimethyl-1,3-dioxolane-4,5-diol
SMILESCC1(C)O[C@H](O)[C@@H](O)O1
InChIInChI=1S/C5H10O4/c1-5(2)8-3(6)4(7)9-5/h3-4,6-7H,1-2H3/t3-,4-/m0/s1
InChIKeyOARHGKBZPURGOL-IMJSIDKUSA-N
MW134.13 g/mol
LogP-0.59
Rot. Bonds

About (4S,5S)-2,2-dimethyl-1,3-dioxolane-4,5-diol

(4S,5S)-2,2-dimethyl-1,3-dioxolane-4,5-diol (PubChem CID 101384233) has the molecular formula C5H10O4 and a molecular weight of 134.13 g/mol. Its IUPAC name is (4S,5S)-2,2-dimethyl-1,3-dioxolane-4,5-diol.

Molecular Properties

Compound Name(4S,5S)-2,2-dimethyl-1,3-dioxolane-4,5-diol
PubChem CID101384233
Molecular FormulaC5H10O4
Molecular Weight134.13 g/mol
Exact Mass134.06
IUPAC Name(4S,5S)-2,2-dimethyl-1,3-dioxolane-4,5-diol
SMILESCC1(C)O[C@H](O)[C@@H](O)O1
InChIInChI=1S/C5H10O4/c1-5(2)8-3(6)4(7)9-5/h3-4,6-7H,1-2H3/t3-,4-/m0/s1
InChIKeyOARHGKBZPURGOL-IMJSIDKUSA-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

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Related Compounds

(3aS,4S,7S,7aS)-2,2-dimethyl-3a,4,7,7a-tetrahydro-1,3-benzodioxole-4,7-diol
CID 14185483
(3R,7S,9S)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecane-2,8-diol
CID 163285082
(3aR,4S,5R,6R,7R,7aS)-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-4,5,6,7-tetrol
CID 10398539
5-[5-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-ol
CID 143992071
(4S,6aS)-2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-ol
CID 89411642
2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6,7-diol
CID 14487703
(3aS,4R,6aS)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol
CID 7577064
[(4R,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 785244
(3aR,6R,6aR)-6-ethyl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol
CID 10487850
4,4,5,5-tetramethyl-1,3-dioxolan-2-ol
CID 58995084
(3aR,4S,6S,6aR)-6-[(1S)-1-hydroxyethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol
CID 102062375
(3aS,4S,6R,6aR)-4-hydroxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylic acid
CID 131040038

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-2,2-dimethyl-1,3-dioxolane-4,5-diol?
The IUPAC name of (4S,5S)-2,2-dimethyl-1,3-dioxolane-4,5-diol (CID 101384233) is (4S,5S)-2,2-dimethyl-1,3-dioxolane-4,5-diol.
What is the SMILES notation for (4S,5S)-2,2-dimethyl-1,3-dioxolane-4,5-diol?
The canonical SMILES for (4S,5S)-2,2-dimethyl-1,3-dioxolane-4,5-diol is CC1(C)O[C@H](O)[C@@H](O)O1.
What is the InChIKey of (4S,5S)-2,2-dimethyl-1,3-dioxolane-4,5-diol?
The InChIKey is OARHGKBZPURGOL-IMJSIDKUSA-N. The full InChI is InChI=1S/C5H10O4/c1-5(2)8-3(6)4(7)9-5/h3-4,6-7H,1-2H3/t3-,4-/m0/s1.
What are the key properties of (4S,5S)-2,2-dimethyl-1,3-dioxolane-4,5-diol?
(4S,5S)-2,2-dimethyl-1,3-dioxolane-4,5-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 (4S,5S)-2,2-dimethyl-1,3-dioxolane-4,5-diol is sourced from PubChem (CID 101384233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).