2-methoxy-2,4,4-trimethyl-5,5-bis(trideuteriomethyl)-1,3-dioxolane

C9H18O3 — CID 131860515

IUPAC2-methoxy-2,4,4-trimethyl-5,5-bis(trideuteriomethyl)-1,3-dioxolane
SMILES[2H]C([2H])([2H])C1(C([2H])([2H])[2H])OC(C)(OC)OC1(C)C
InChIInChI=1S/C9H18O3/c1-7(2)8(3,4)12-9(5,10-6)11-7/h1-6H3/i1D3,2D3
InChIKeyIBINLOXCQMWAOA-WFGJKAKNSA-N
MW180.28 g/mol
LogP1.91
Rot. Bonds3

About 2-methoxy-2,4,4-trimethyl-5,5-bis(trideuteriomethyl)-1,3-dioxolane

2-methoxy-2,4,4-trimethyl-5,5-bis(trideuteriomethyl)-1,3-dioxolane (PubChem CID 131860515) has the molecular formula C9H18O3 and a molecular weight of 180.28 g/mol. Its IUPAC name is 2-methoxy-2,4,4-trimethyl-5,5-bis(trideuteriomethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-methoxy-2,4,4-trimethyl-5,5-bis(trideuteriomethyl)-1,3-dioxolane
PubChem CID131860515
Molecular FormulaC9H18O3
Molecular Weight180.28 g/mol
Exact Mass180.16
IUPAC Name2-methoxy-2,4,4-trimethyl-5,5-bis(trideuteriomethyl)-1,3-dioxolane
SMILES[2H]C([2H])([2H])C1(C([2H])([2H])[2H])OC(C)(OC)OC1(C)C
InChIInChI=1S/C9H18O3/c1-7(2)8(3,4)12-9(5,10-6)11-7/h1-6H3/i1D3,2D3
InChIKeyIBINLOXCQMWAOA-WFGJKAKNSA-N
XLogP1.91
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.28
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S,5S)-2-methoxy-2-methyl-4,5-diphenyl-1,3-dioxolane
CID 14972315
(2S,5R)-2,5-dimethoxy-2,5-dimethyl-1,4-dioxane
CID 738898
2,4,4,5,5-pentamethyl-1,3-dioxolan-2-ol
CID 71403401
magnesium;3,3-dimethoxydioxirane;hydride
CID 174272624
(2-methoxy-2,5-dimethyl-1,3-dioxan-5-yl)methanol
CID 54203877
methyl (2E)-2-[(5R)-5-ethynyl-2-methoxy-2,5-dimethyl-1,3-dioxolan-4-ylidene]acetate
CID 72707835
3-methyl-2,4-dioxabicyclo[1.1.0]butan-1-ol
CID 173021166
3-methoxy-3,4,4-trimethyloxetan-2-one
CID 12611183
methyl 3-(2,3,3-trimethyloxiran-2-yl)propanoate
CID 11008390
lanthanum;3-methoxydioxiran-3-ol
CID 175608723
azane;3-methoxydioxiran-3-ol
CID 174848331
2-(fluoromethyl)-2,4,4,5,5-pentamethyl-1,3-dioxolane
CID 58862900

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2,4,4-trimethyl-5,5-bis(trideuteriomethyl)-1,3-dioxolane?
The IUPAC name of 2-methoxy-2,4,4-trimethyl-5,5-bis(trideuteriomethyl)-1,3-dioxolane (CID 131860515) is 2-methoxy-2,4,4-trimethyl-5,5-bis(trideuteriomethyl)-1,3-dioxolane.
What is the SMILES notation for 2-methoxy-2,4,4-trimethyl-5,5-bis(trideuteriomethyl)-1,3-dioxolane?
The canonical SMILES for 2-methoxy-2,4,4-trimethyl-5,5-bis(trideuteriomethyl)-1,3-dioxolane is [2H]C([2H])([2H])C1(C([2H])([2H])[2H])OC(C)(OC)OC1(C)C.
What is the InChIKey of 2-methoxy-2,4,4-trimethyl-5,5-bis(trideuteriomethyl)-1,3-dioxolane?
The InChIKey is IBINLOXCQMWAOA-WFGJKAKNSA-N. The full InChI is InChI=1S/C9H18O3/c1-7(2)8(3,4)12-9(5,10-6)11-7/h1-6H3/i1D3,2D3.
What are the key properties of 2-methoxy-2,4,4-trimethyl-5,5-bis(trideuteriomethyl)-1,3-dioxolane?
2-methoxy-2,4,4-trimethyl-5,5-bis(trideuteriomethyl)-1,3-dioxolane has a molecular weight of 180.28 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2,4,4-trimethyl-5,5-bis(trideuteriomethyl)-1,3-dioxolane is sourced from PubChem (CID 131860515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).