(3S,4R,5R,6S)-2-[[deuterio(tritio)methoxy]methyl]-6-ethyl-3,4,5-trimethyloxane

C12H24O2 — CID 59036346

IUPAC(3S,4R,5R,6S)-2-[[deuterio(tritio)methoxy]methyl]-6-ethyl-3,4,5-trimethyloxane
SMILES[2H]C([3H])OCC1O[C@@H](CC)[C@H](C)[C@@H](C)[C@@H]1C
InChIInChI=1S/C12H24O2/c1-6-11-9(3)8(2)10(4)12(14-11)7-13-5/h8-12H,6-7H2,1-5H3/t8-,9-,10+,11+,12?/m1/s1/i5TD/t5?,8-,9-,10+,11+,12?
InChIKeyQGRGORCBNBBMLS-PTJYIOHBSA-N
MW203.34 g/mol
LogP2.72
Rot. Bonds4

About (3S,4R,5R,6S)-2-[[deuterio(tritio)methoxy]methyl]-6-ethyl-3,4,5-trimethyloxane

(3S,4R,5R,6S)-2-[[deuterio(tritio)methoxy]methyl]-6-ethyl-3,4,5-trimethyloxane (PubChem CID 59036346) has the molecular formula C12H24O2 and a molecular weight of 203.34 g/mol. Its IUPAC name is (3S,4R,5R,6S)-2-[[deuterio(tritio)methoxy]methyl]-6-ethyl-3,4,5-trimethyloxane.

Molecular Properties

Compound Name(3S,4R,5R,6S)-2-[[deuterio(tritio)methoxy]methyl]-6-ethyl-3,4,5-trimethyloxane
PubChem CID59036346
Molecular FormulaC12H24O2
Molecular Weight203.34 g/mol
Exact Mass203.19
IUPAC Name(3S,4R,5R,6S)-2-[[deuterio(tritio)methoxy]methyl]-6-ethyl-3,4,5-trimethyloxane
SMILES[2H]C([3H])OCC1O[C@@H](CC)[C@H](C)[C@@H](C)[C@@H]1C
InChIInChI=1S/C12H24O2/c1-6-11-9(3)8(2)10(4)12(14-11)7-13-5/h8-12H,6-7H2,1-5H3/t8-,9-,10+,11+,12?/m1/s1/i5TD/t5?,8-,9-,10+,11+,12?
InChIKeyQGRGORCBNBBMLS-PTJYIOHBSA-N
XLogP2.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.34
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3S,4R,5R,6S)-2-[[deuterio(tritio)methoxy]methyl]-6-ethyl-3,4,5-trimethyloxane with MolForge

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Related Compounds

(2S,3R,4R,5S,6S)-2-(azidomethyl)-6-[[deuterio(tritio)methoxy]methyl]-3,4,5-trimethyloxane
CID 59036365
N-[(2R,3R,4S,5S,6S)-6-[[deuterio(tritio)methoxy]methyl]-2-(dimethylphosphanyloxymethyl)-4,5-dimethyloxan-3-yl]acetamide
CID 59036371
(2S,3R,4S,5S,6R)-2-ethyl-3,4,5,6-tetramethyloxane
CID 59944457
(3S,4R,6S)-2-ethyl-3,4,5,6-tetramethyloxane
CID 91273556
(3S,6S)-2-ethyl-3,4,5,6-tetramethyloxane
CID 91456258
(3R,4S,6S)-2-ethyl-3,4,5,6-tetramethyloxane
CID 90919001
CID 23594186
CID 23594186
(3R,5R)-2-ethyl-3,4,5-trimethyl-6-propan-2-yloxane
CID 122599287
(2S,3S)-2-ethyl-3,4,5-trimethyloxolane
CID 59088156
2-(methoxymethyl)-3,4,5-trimethyloxolane
CID 21349670
[(2R,3R,4R,5R)-6-[deuterio(tritio)methoxy]-3,4,5-trimethyloxan-2-yl]methanol
CID 59036539
(3S,4R,6R)-2-ethyl-3,4,5-trimethyl-6-propan-2-yloxyoxane
CID 122599315

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5R,6S)-2-[[deuterio(tritio)methoxy]methyl]-6-ethyl-3,4,5-trimethyloxane?
The IUPAC name of (3S,4R,5R,6S)-2-[[deuterio(tritio)methoxy]methyl]-6-ethyl-3,4,5-trimethyloxane (CID 59036346) is (3S,4R,5R,6S)-2-[[deuterio(tritio)methoxy]methyl]-6-ethyl-3,4,5-trimethyloxane.
What is the SMILES notation for (3S,4R,5R,6S)-2-[[deuterio(tritio)methoxy]methyl]-6-ethyl-3,4,5-trimethyloxane?
The canonical SMILES for (3S,4R,5R,6S)-2-[[deuterio(tritio)methoxy]methyl]-6-ethyl-3,4,5-trimethyloxane is [2H]C([3H])OCC1O[C@@H](CC)[C@H](C)[C@@H](C)[C@@H]1C.
What is the InChIKey of (3S,4R,5R,6S)-2-[[deuterio(tritio)methoxy]methyl]-6-ethyl-3,4,5-trimethyloxane?
The InChIKey is QGRGORCBNBBMLS-PTJYIOHBSA-N. The full InChI is InChI=1S/C12H24O2/c1-6-11-9(3)8(2)10(4)12(14-11)7-13-5/h8-12H,6-7H2,1-5H3/t8-,9-,10+,11+,12?/m1/s1/i5TD/t5?,8-,9-,10+,11+,12?.
What are the key properties of (3S,4R,5R,6S)-2-[[deuterio(tritio)methoxy]methyl]-6-ethyl-3,4,5-trimethyloxane?
(3S,4R,5R,6S)-2-[[deuterio(tritio)methoxy]methyl]-6-ethyl-3,4,5-trimethyloxane has a molecular weight of 203.34 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5R,6S)-2-[[deuterio(tritio)methoxy]methyl]-6-ethyl-3,4,5-trimethyloxane is sourced from PubChem (CID 59036346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).