(2S,4R)-4-methoxy-2,4-dimethyl-3-nitrosooxane

C8H15NO3 — CID 129313677

IUPAC(2S,4R)-4-methoxy-2,4-dimethyl-3-nitrosooxane
SMILESCO[C@]1(C)CCO[C@@H](C)C1N=O
InChIInChI=1S/C8H15NO3/c1-6-7(9-10)8(2,11-3)4-5-12-6/h6-7H,4-5H2,1-3H3/t6-,7?,8+/m0/s1
InChIKeyUUZPYHMZXBSAFB-YPVSKDHRSA-N
MW173.21 g/mol
LogP1.34
Rot. Bonds2

About (2S,4R)-4-methoxy-2,4-dimethyl-3-nitrosooxane

(2S,4R)-4-methoxy-2,4-dimethyl-3-nitrosooxane (PubChem CID 129313677) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is (2S,4R)-4-methoxy-2,4-dimethyl-3-nitrosooxane.

Molecular Properties

Compound Name(2S,4R)-4-methoxy-2,4-dimethyl-3-nitrosooxane
PubChem CID129313677
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name(2S,4R)-4-methoxy-2,4-dimethyl-3-nitrosooxane
SMILESCO[C@]1(C)CCO[C@@H](C)C1N=O
InChIInChI=1S/C8H15NO3/c1-6-7(9-10)8(2,11-3)4-5-12-6/h6-7H,4-5H2,1-3H3/t6-,7?,8+/m0/s1
InChIKeyUUZPYHMZXBSAFB-YPVSKDHRSA-N
XLogP1.34
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-4-methoxy-2,4-dimethyloxan-3-ol
CID 89038479
ethane;(2S,3R,4S)-3-methoxy-2,4-dimethyl-4-propan-2-yloxane
CID 143101195
methyl 2,3-dimethyloxolane-3-carboxylate
CID 130674269
(2S,4R)-4-methoxy-2,4-dimethyloxane
CID 70322264
N-(4-methoxybutan-2-yl)-2,3-dimethyloxolan-3-amine
CID 103581330
(3R,4R)-2,4-dimethyloxane-3,4-diol
CID 89038493
4,5-dimethyl-1,6-dioxaspiro[2.5]octane;ethane
CID 142311739
3-(bromomethyl)-2,3-dimethyloxolane
CID 114536016
methyl 5-(2-methyloxolan-3-yl)-1,3,4-oxadiazole-2-carboxylate
CID 112619114
(3R)-2,3-dimethyl-1,4-dioxane
CID 134576356
(2S,3S,4R,6S)-4-methoxy-2,3,4,6-tetramethyloxane
CID 89274647
but-2-yne;ethane;(2R,3S,4R,6R,8R,9E,12R,13S)-13-ethyl-6,12-dihydroxy-9-hydroxyimino-3-methoxy-2,4,6,8,10,11,12-heptamethylcyclotetradecan-1-one;(3S,4R)-4-methoxy-2,3,4-trimethyloxane
CID 145467027

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-methoxy-2,4-dimethyl-3-nitrosooxane?
The IUPAC name of (2S,4R)-4-methoxy-2,4-dimethyl-3-nitrosooxane (CID 129313677) is (2S,4R)-4-methoxy-2,4-dimethyl-3-nitrosooxane.
What is the SMILES notation for (2S,4R)-4-methoxy-2,4-dimethyl-3-nitrosooxane?
The canonical SMILES for (2S,4R)-4-methoxy-2,4-dimethyl-3-nitrosooxane is CO[C@]1(C)CCO[C@@H](C)C1N=O.
What is the InChIKey of (2S,4R)-4-methoxy-2,4-dimethyl-3-nitrosooxane?
The InChIKey is UUZPYHMZXBSAFB-YPVSKDHRSA-N. The full InChI is InChI=1S/C8H15NO3/c1-6-7(9-10)8(2,11-3)4-5-12-6/h6-7H,4-5H2,1-3H3/t6-,7?,8+/m0/s1.
What are the key properties of (2S,4R)-4-methoxy-2,4-dimethyl-3-nitrosooxane?
(2S,4R)-4-methoxy-2,4-dimethyl-3-nitrosooxane has a molecular weight of 173.21 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-methoxy-2,4-dimethyl-3-nitrosooxane is sourced from PubChem (CID 129313677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).