(4R,5S)-2,4,5-trimethyl-1,3-dioxolan-2-ol

C6H12O3 — CID 163961181

IUPAC(4R,5S)-2,4,5-trimethyl-1,3-dioxolan-2-ol
SMILESC[C@@H]1OC(C)(O)O[C@@H]1C
InChIInChI=1S/C6H12O3/c1-4-5(2)9-6(3,7)8-4/h4-5,7H,1-3H3/t4-,5+,6?
InChIKeySHPFUYRNRVBVEO-XEAPYIEGSA-N
MW132.16 g/mol
LogP0.48
Rot. Bonds

About (4R,5S)-2,4,5-trimethyl-1,3-dioxolan-2-ol

(4R,5S)-2,4,5-trimethyl-1,3-dioxolan-2-ol (PubChem CID 163961181) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is (4R,5S)-2,4,5-trimethyl-1,3-dioxolan-2-ol.

Molecular Properties

Compound Name(4R,5S)-2,4,5-trimethyl-1,3-dioxolan-2-ol
PubChem CID163961181
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name(4R,5S)-2,4,5-trimethyl-1,3-dioxolan-2-ol
SMILESC[C@@H]1OC(C)(O)O[C@@H]1C
InChIInChI=1S/C6H12O3/c1-4-5(2)9-6(3,7)8-4/h4-5,7H,1-3H3/t4-,5+,6?
InChIKeySHPFUYRNRVBVEO-XEAPYIEGSA-N
XLogP0.48
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5S,6S)-2,2,3,3,5,6-hexamethyl-1,4-dioxane
CID 59124579
(2R,3R)-2,5,6-trimethyl-1,4-dioxane-2,3-diol
CID 130875255
2,4-dimethyloxetane-2,3-diol
CID 142770026
(3S,5S)-6-methyloxane-2,2,3,4,5-pentol
CID 129203156
1,2,3-trimethylcyclopropan-1-ol
CID 91184731
(2S,4R,5S)-2-methoxy-2,3,6-trimethyloxane-3,4,5-triol
CID 70800080
(2S,3R,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-methyloxane-2-sulfonic acid
CID 166133374
4-(2,4,5-trimethyl-1,3-dioxolan-2-yl)butan-2-one
CID 13462259
[(2R,3S,4R,5R)-4-chlorooxy-2-hydroxy-2,5-dimethyloxolan-3-yl] hypochlorite
CID 68717145
2,4,4,5,5-pentamethyl-1,3-dioxolan-2-ol
CID 71403401
CID 102491516
CID 102491516
(3R,4S)-2,4-dimethyloxolane-3,4-diol
CID 143327759

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-2,4,5-trimethyl-1,3-dioxolan-2-ol?
The IUPAC name of (4R,5S)-2,4,5-trimethyl-1,3-dioxolan-2-ol (CID 163961181) is (4R,5S)-2,4,5-trimethyl-1,3-dioxolan-2-ol.
What is the SMILES notation for (4R,5S)-2,4,5-trimethyl-1,3-dioxolan-2-ol?
The canonical SMILES for (4R,5S)-2,4,5-trimethyl-1,3-dioxolan-2-ol is C[C@@H]1OC(C)(O)O[C@@H]1C.
What is the InChIKey of (4R,5S)-2,4,5-trimethyl-1,3-dioxolan-2-ol?
The InChIKey is SHPFUYRNRVBVEO-XEAPYIEGSA-N. The full InChI is InChI=1S/C6H12O3/c1-4-5(2)9-6(3,7)8-4/h4-5,7H,1-3H3/t4-,5+,6?.
What are the key properties of (4R,5S)-2,4,5-trimethyl-1,3-dioxolan-2-ol?
(4R,5S)-2,4,5-trimethyl-1,3-dioxolan-2-ol has a molecular weight of 132.16 g/mol, XLogP of 0.48, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-2,4,5-trimethyl-1,3-dioxolan-2-ol is sourced from PubChem (CID 163961181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).