(4R,5S)-4,5-dimethyl-1,3-dioxolane

C5H10O2 — CID 13085378

IUPAC(4R,5S)-4,5-dimethyl-1,3-dioxolane
SMILESC[C@@H]1OCO[C@@H]1C
InChIInChI=1S/C5H10O2/c1-4-5(2)7-3-6-4/h4-5H,3H2,1-2H3/t4-,5+
InChIKeyGGQOXKOHMFKMLR-SYDPRGILSA-N
MW102.13 g/mol
LogP0.77
Rot. Bonds

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

(4R,5S)-4,5-dimethyl-1,3-dioxolane (PubChem CID 13085378) has the molecular formula C5H10O2 and a molecular weight of 102.13 g/mol. Its IUPAC name is (4R,5S)-4,5-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4R,5S)-4,5-dimethyl-1,3-dioxolane
PubChem CID13085378
Molecular FormulaC5H10O2
Molecular Weight102.13 g/mol
Exact Mass102.07
IUPAC Name(4R,5S)-4,5-dimethyl-1,3-dioxolane
SMILESC[C@@H]1OCO[C@@H]1C
InChIInChI=1S/C5H10O2/c1-4-5(2)7-3-6-4/h4-5H,3H2,1-2H3/t4-,5+
InChIKeyGGQOXKOHMFKMLR-SYDPRGILSA-N
XLogP0.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.13
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-iodo-5-methyl-1,3-dioxolane
CID 146660754
4,5-dimethyl-1,3-dioxolane;1,2-xylene
CID 158261825
(3R)-2,3-dimethyl-1,4-dioxane
CID 134576356
4-ethenyl-5-methyl-1,3-dioxolane
CID 154265114
1-(4,6-dimethyl-1,3-dioxan-5-yl)ethanone
CID 90985845
2,3-dimethyl-1,4,7,10,13,16-hexaoxacyclooctadecane
CID 14814457
5-iodo-4-methyl-1,3-dioxane
CID 151448925
(2S,3S)-2,3-dimethyloxetane
CID 76764483
(2S,6R,7R)-2-ethyl-2-methoxy-6,7-dimethyl-1,3,5-trioxepane
CID 138983251
2-methyloxirane;polane
CID 173240072
CID 163498360
CID 163498360
λ2-plumbane;2-methyloxirane
CID 173222692

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4,5-dimethyl-1,3-dioxolane?
The IUPAC name of (4R,5S)-4,5-dimethyl-1,3-dioxolane (CID 13085378) is (4R,5S)-4,5-dimethyl-1,3-dioxolane.
What is the SMILES notation for (4R,5S)-4,5-dimethyl-1,3-dioxolane?
The canonical SMILES for (4R,5S)-4,5-dimethyl-1,3-dioxolane is C[C@@H]1OCO[C@@H]1C.
What is the InChIKey of (4R,5S)-4,5-dimethyl-1,3-dioxolane?
The InChIKey is GGQOXKOHMFKMLR-SYDPRGILSA-N. The full InChI is InChI=1S/C5H10O2/c1-4-5(2)7-3-6-4/h4-5H,3H2,1-2H3/t4-,5+.
What are the key properties of (4R,5S)-4,5-dimethyl-1,3-dioxolane?
(4R,5S)-4,5-dimethyl-1,3-dioxolane has a molecular weight of 102.13 g/mol, XLogP of 0.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4,5-dimethyl-1,3-dioxolane is sourced from PubChem (CID 13085378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).