(2S,6R)-2-methoxy-4,4,6-trimethyl-1,3-dioxane

C8H16O3 — CID 134879086

IUPAC(2S,6R)-2-methoxy-4,4,6-trimethyl-1,3-dioxane
SMILESCO[C@H]1O[C@H](C)CC(C)(C)O1
InChIInChI=1S/C8H16O3/c1-6-5-8(2,3)11-7(9-4)10-6/h6-7H,5H2,1-4H3/t6-,7+/m1/s1
InChIKeyDTBOMIMYCUSSNT-RQJHMYQMSA-N
MW160.21 g/mol
LogP1.52
Rot. Bonds1

About (2S,6R)-2-methoxy-4,4,6-trimethyl-1,3-dioxane

(2S,6R)-2-methoxy-4,4,6-trimethyl-1,3-dioxane (PubChem CID 134879086) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is (2S,6R)-2-methoxy-4,4,6-trimethyl-1,3-dioxane.

Molecular Properties

Compound Name(2S,6R)-2-methoxy-4,4,6-trimethyl-1,3-dioxane
PubChem CID134879086
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name(2S,6R)-2-methoxy-4,4,6-trimethyl-1,3-dioxane
SMILESCO[C@H]1O[C@H](C)CC(C)(C)O1
InChIInChI=1S/C8H16O3/c1-6-5-8(2,3)11-7(9-4)10-6/h6-7H,5H2,1-4H3/t6-,7+/m1/s1
InChIKeyDTBOMIMYCUSSNT-RQJHMYQMSA-N
XLogP1.52
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2-methoxy-4,4,6-trimethyl-1,3-dioxane?
The IUPAC name of (2S,6R)-2-methoxy-4,4,6-trimethyl-1,3-dioxane (CID 134879086) is (2S,6R)-2-methoxy-4,4,6-trimethyl-1,3-dioxane.
What is the SMILES notation for (2S,6R)-2-methoxy-4,4,6-trimethyl-1,3-dioxane?
The canonical SMILES for (2S,6R)-2-methoxy-4,4,6-trimethyl-1,3-dioxane is CO[C@H]1O[C@H](C)CC(C)(C)O1.
What is the InChIKey of (2S,6R)-2-methoxy-4,4,6-trimethyl-1,3-dioxane?
The InChIKey is DTBOMIMYCUSSNT-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H16O3/c1-6-5-8(2,3)11-7(9-4)10-6/h6-7H,5H2,1-4H3/t6-,7+/m1/s1.
What are the key properties of (2S,6R)-2-methoxy-4,4,6-trimethyl-1,3-dioxane?
(2S,6R)-2-methoxy-4,4,6-trimethyl-1,3-dioxane has a molecular weight of 160.21 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2-methoxy-4,4,6-trimethyl-1,3-dioxane is sourced from PubChem (CID 134879086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).