(2R,3S,6S)-3-(1,3-dioxolan-2-yl)-2,6-dimethyloxane

C10H18O3 — CID 134964241

IUPAC(2R,3S,6S)-3-(1,3-dioxolan-2-yl)-2,6-dimethyloxane
SMILESC[C@H]1CC[C@H](C2OCCO2)[C@@H](C)O1
InChIInChI=1S/C10H18O3/c1-7-3-4-9(8(2)13-7)10-11-5-6-12-10/h7-10H,3-6H2,1-2H3/t7-,8+,9-/m0/s1
InChIKeyUQFJWKNPSQKJFQ-YIZRAAEISA-N
MW186.25 g/mol
LogP1.56
Rot. Bonds1

About (2R,3S,6S)-3-(1,3-dioxolan-2-yl)-2,6-dimethyloxane

(2R,3S,6S)-3-(1,3-dioxolan-2-yl)-2,6-dimethyloxane (PubChem CID 134964241) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (2R,3S,6S)-3-(1,3-dioxolan-2-yl)-2,6-dimethyloxane.

Molecular Properties

Compound Name(2R,3S,6S)-3-(1,3-dioxolan-2-yl)-2,6-dimethyloxane
PubChem CID134964241
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(2R,3S,6S)-3-(1,3-dioxolan-2-yl)-2,6-dimethyloxane
SMILESC[C@H]1CC[C@H](C2OCCO2)[C@@H](C)O1
InChIInChI=1S/C10H18O3/c1-7-3-4-9(8(2)13-7)10-11-5-6-12-10/h7-10H,3-6H2,1-2H3/t7-,8+,9-/m0/s1
InChIKeyUQFJWKNPSQKJFQ-YIZRAAEISA-N
XLogP1.56
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl-4,6-dideoxy-2,3-O-isopropylidene-4-methylpyranoside
CID 194716
2-(Heptan-3-yl)-4-methyl-1,3-dioxolane
CID 3737523
Methyl-6-deoxy-2,3-isopropylidene-4-methylene lyxo-pyranoside
CID 194715
5-Ethyl-2,4-dipropyl-1,3-dioxane
CID 221917
1,3-Dioxolane, 2-cyclohexyl-4,5-dimethyl-
CID 568154
(2R,4R,6S)-2-methoxy-4,6-dimethyloxane
CID 12740304
3-Ethyl-6,8-dioxabicyclo[3.2.1]octane
CID 129717425
(4R,5R)-2,2,4-trimethyl-5-[(1S)-1-[(2S,3R)-3-methyloxiran-2-yl]ethyl]-1,3-dioxolane
CID 134878060
(4S,5S)-2,2,4-trimethyl-5-[(1R)-1-[(2S,3R)-3-methyloxiran-2-yl]ethyl]-1,3-dioxolane
CID 134895149
(4R,5S)-2,2,4-trimethyl-5-[(1R)-1-[(2S,3R)-3-methyloxiran-2-yl]ethyl]-1,3-dioxolane
CID 134895203
4-[(2S,3S,5R)-5-(2-methoxypropan-2-yloxy)-3-methyloxolan-2-yl]-2,2-dimethyl-1,3-dioxolane
CID 135010892
(4R,7S)-4-methoxy-2,2,6,7-tetramethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran
CID 135036297

Frequently Asked Questions

What is the IUPAC name of (2R,3S,6S)-3-(1,3-dioxolan-2-yl)-2,6-dimethyloxane?
The IUPAC name of (2R,3S,6S)-3-(1,3-dioxolan-2-yl)-2,6-dimethyloxane (CID 134964241) is (2R,3S,6S)-3-(1,3-dioxolan-2-yl)-2,6-dimethyloxane.
What is the SMILES notation for (2R,3S,6S)-3-(1,3-dioxolan-2-yl)-2,6-dimethyloxane?
The canonical SMILES for (2R,3S,6S)-3-(1,3-dioxolan-2-yl)-2,6-dimethyloxane is C[C@H]1CC[C@H](C2OCCO2)[C@@H](C)O1.
What is the InChIKey of (2R,3S,6S)-3-(1,3-dioxolan-2-yl)-2,6-dimethyloxane?
The InChIKey is UQFJWKNPSQKJFQ-YIZRAAEISA-N. The full InChI is InChI=1S/C10H18O3/c1-7-3-4-9(8(2)13-7)10-11-5-6-12-10/h7-10H,3-6H2,1-2H3/t7-,8+,9-/m0/s1.
What are the key properties of (2R,3S,6S)-3-(1,3-dioxolan-2-yl)-2,6-dimethyloxane?
(2R,3S,6S)-3-(1,3-dioxolan-2-yl)-2,6-dimethyloxane has a molecular weight of 186.25 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,6S)-3-(1,3-dioxolan-2-yl)-2,6-dimethyloxane is sourced from PubChem (CID 134964241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).