[(3R)-4-(dimethylamino)-2-iodooxy-6-methyloxan-3-yl] acetate

C10H18INO4 — CID 145284278

IUPAC[(3R)-4-(dimethylamino)-2-iodooxy-6-methyloxan-3-yl] acetate
SMILESCC(=O)O[C@H]1C(OI)OC(C)CC1N(C)C
InChIInChI=1S/C10H18INO4/c1-6-5-8(12(3)4)9(15-7(2)13)10(14-6)16-11/h6,8-10H,5H2,1-4H3/t6?,8?,9-,10?/m1/s1
InChIKeyREKNLCFEHQIDLD-HTIATLJVSA-N
MW343.16 g/mol
LogP1.35
Rot. Bonds3

About [(3R)-4-(dimethylamino)-2-iodooxy-6-methyloxan-3-yl] acetate

[(3R)-4-(dimethylamino)-2-iodooxy-6-methyloxan-3-yl] acetate (PubChem CID 145284278) has the molecular formula C10H18INO4 and a molecular weight of 343.16 g/mol. Its IUPAC name is [(3R)-4-(dimethylamino)-2-iodooxy-6-methyloxan-3-yl] acetate.

Molecular Properties

Compound Name[(3R)-4-(dimethylamino)-2-iodooxy-6-methyloxan-3-yl] acetate
PubChem CID145284278
Molecular FormulaC10H18INO4
Molecular Weight343.16 g/mol
Exact Mass343.03
IUPAC Name[(3R)-4-(dimethylamino)-2-iodooxy-6-methyloxan-3-yl] acetate
SMILESCC(=O)O[C@H]1C(OI)OC(C)CC1N(C)C
InChIInChI=1S/C10H18INO4/c1-6-5-8(12(3)4)9(15-7(2)13)10(14-6)16-11/h6,8-10H,5H2,1-4H3/t6?,8?,9-,10?/m1/s1
InChIKeyREKNLCFEHQIDLD-HTIATLJVSA-N
XLogP1.35
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.16
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

[(3R,4S,6R)-4-(dimethylamino)-2-hydroxy-6-methyloxan-3-yl] hypoiodite
CID 134302754
4-(dimethylamino)-6-methyl-2-[(2-methylpropan-2-yl)oxy]oxan-3-ol
CID 67952449
(3R,4S,6R)-3-methoxy-N,N,6-trimethyl-2-[(2-methylpropan-2-yl)oxy]oxan-4-amine
CID 165025782
[(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(3R,5R,6S,7S,9R,11E,13R,14R)-14-ethyl-3,5,7,9,13-pentamethyl-2,4,10-trioxo-1-oxacyclotetradec-11-en-6-yl]oxy]-6-methyloxan-3-yl] acetate
CID 57333188
[(3R,5S,8S,9R,12R,13S,14S,15R)-6-[(2S,3R,4S,6R)-3-acetyloxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-8-[(4S,5R,6S)-5-acetyloxy-4-ethyl-6-methyloxan-2-yl]oxy-5,9,12,13,15-pentamethyl-10,16-dioxo-1,11-dioxaspiro[2.13]hexadecan-14-yl] acetate
CID 45357161
[4-(dimethylamino)-2-[4-[1-[7-(hydroxyamino)-7-oxoheptyl]triazol-4-yl]phenoxy]-6-methyloxan-3-yl] acetate
CID 174206576
(2R,3R,4S,6R)-4-(dimethylamino)-3-methoxy-6-methyloxan-2-ol;ethane
CID 145399800
[(2S,3R,4R,6R)-4-(dimethylamino)-2-[[(3R,5R,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2,4,10-trioxo-oxacyclotetradec-6-yl]oxy]-6-methyloxan-3-yl] acetate
CID 134990487
[(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(2R,3S,4R,5R,8R,10R,11R,12S,14R)-2-ethyl-3,4,10,13-tetrahydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-1-oxa-6-azacyclopentadec-11-yl]oxy]-6-methyloxan-3-yl] acetate
CID 56961958
[(2S,5S)-2,3,5,6-tetraacetyloxyoxan-4-yl] acetate
CID 134940268
[(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(2R,3S,4R,5R,8R,9E,11R,12S,13S,14R)-2-ethyl-3,4,13-trihydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-1-oxa-6-azacyclopentadec-9-en-11-yl]oxy]-6-methyloxan-3-yl] acetate
CID 71766877
[(2S,3R,4R,5S)-4,5-diacetyloxy-6-dihydroxyphosphanyloxy-2-methyloxan-3-yl] acetate
CID 57038168

Frequently Asked Questions

What is the IUPAC name of [(3R)-4-(dimethylamino)-2-iodooxy-6-methyloxan-3-yl] acetate?
The IUPAC name of [(3R)-4-(dimethylamino)-2-iodooxy-6-methyloxan-3-yl] acetate (CID 145284278) is [(3R)-4-(dimethylamino)-2-iodooxy-6-methyloxan-3-yl] acetate.
What is the SMILES notation for [(3R)-4-(dimethylamino)-2-iodooxy-6-methyloxan-3-yl] acetate?
The canonical SMILES for [(3R)-4-(dimethylamino)-2-iodooxy-6-methyloxan-3-yl] acetate is CC(=O)O[C@H]1C(OI)OC(C)CC1N(C)C.
What is the InChIKey of [(3R)-4-(dimethylamino)-2-iodooxy-6-methyloxan-3-yl] acetate?
The InChIKey is REKNLCFEHQIDLD-HTIATLJVSA-N. The full InChI is InChI=1S/C10H18INO4/c1-6-5-8(12(3)4)9(15-7(2)13)10(14-6)16-11/h6,8-10H,5H2,1-4H3/t6?,8?,9-,10?/m1/s1.
What are the key properties of [(3R)-4-(dimethylamino)-2-iodooxy-6-methyloxan-3-yl] acetate?
[(3R)-4-(dimethylamino)-2-iodooxy-6-methyloxan-3-yl] acetate has a molecular weight of 343.16 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-4-(dimethylamino)-2-iodooxy-6-methyloxan-3-yl] acetate is sourced from PubChem (CID 145284278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).