[(2R,3R,5S)-2,5-dimethyloxolan-3-yl]oxymethyl-dimethoxyborane

C9H19BO4 — CID 163463496

IUPAC[(2R,3R,5S)-2,5-dimethyloxolan-3-yl]oxymethyl-dimethoxyborane
SMILESCOB(CO[C@@H]1C[C@H](C)O[C@@H]1C)OC
InChIInChI=1S/C9H19BO4/c1-7-5-9(8(2)14-7)13-6-10(11-3)12-4/h7-9H,5-6H2,1-4H3/t7-,8+,9+/m0/s1
InChIKeyPPODNFDNFYWWDI-DJLDLDEBSA-N
MW202.06 g/mol
LogP0.89
Rot. Bonds5

About [(2R,3R,5S)-2,5-dimethyloxolan-3-yl]oxymethyl-dimethoxyborane

[(2R,3R,5S)-2,5-dimethyloxolan-3-yl]oxymethyl-dimethoxyborane (PubChem CID 163463496) has the molecular formula C9H19BO4 and a molecular weight of 202.06 g/mol. Its IUPAC name is [(2R,3R,5S)-2,5-dimethyloxolan-3-yl]oxymethyl-dimethoxyborane.

Molecular Properties

Compound Name[(2R,3R,5S)-2,5-dimethyloxolan-3-yl]oxymethyl-dimethoxyborane
PubChem CID163463496
Molecular FormulaC9H19BO4
Molecular Weight202.06 g/mol
Exact Mass202.14
IUPAC Name[(2R,3R,5S)-2,5-dimethyloxolan-3-yl]oxymethyl-dimethoxyborane
SMILESCOB(CO[C@@H]1C[C@H](C)O[C@@H]1C)OC
InChIInChI=1S/C9H19BO4/c1-7-5-9(8(2)14-7)13-6-10(11-3)12-4/h7-9H,5-6H2,1-4H3/t7-,8+,9+/m0/s1
InChIKeyPPODNFDNFYWWDI-DJLDLDEBSA-N
XLogP0.89
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.06
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,5S)-3-(3-isocyano-2-methylpropoxy)-2,5-dimethyloxolane
CID 163919629
3-ethenoxy-2,5-dimethyloxolane
CID 102248168
N,N'-bis[[(2S,3R,4S,6S)-4-methoxy-2,6-dimethyloxan-3-yl]oxy]propanediamide
CID 59364470
(2R,3R,5S)-2-ethyl-3-methoxy-5-methyloxolane
CID 163422674
(3-ethoxy-5-methyloxolan-2-yl)methanol
CID 59687260
[(2S,3R,4S,6S)-4-methoxy-2,6-dimethyloxan-3-yl]carbamoyloxymethyl N-[(2S,3R,4S,6S)-4-methoxy-2,6-dimethyloxan-3-yl]carbamate
CID 59364473
3-methoxy-2-[[[(2R,3R,5S)-3-methoxy-5-methyloxolan-2-yl]methoxy-methylphosphoryl]oxymethyl]-5-methyloxolane
CID 170523973
(2R,4R)-3,4-dimethoxy-6-methyloxan-2-ol
CID 129044548
(2R,5S)-3-(1,3-benzodithiol-2-yloxy)-2,5-dimethyloxolane
CID 88980091
[(2R,3R,5S)-2,5-dimethyloxolan-3-yl]boronic acid
CID 163654714
[(2S,3S,5R)-2,5-dimethyloxolan-3-yl]methanol
CID 171816838
(2S)-4-methoxy-2,6-dimethyloxane
CID 142449204

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,5S)-2,5-dimethyloxolan-3-yl]oxymethyl-dimethoxyborane?
The IUPAC name of [(2R,3R,5S)-2,5-dimethyloxolan-3-yl]oxymethyl-dimethoxyborane (CID 163463496) is [(2R,3R,5S)-2,5-dimethyloxolan-3-yl]oxymethyl-dimethoxyborane.
What is the SMILES notation for [(2R,3R,5S)-2,5-dimethyloxolan-3-yl]oxymethyl-dimethoxyborane?
The canonical SMILES for [(2R,3R,5S)-2,5-dimethyloxolan-3-yl]oxymethyl-dimethoxyborane is COB(CO[C@@H]1C[C@H](C)O[C@@H]1C)OC.
What is the InChIKey of [(2R,3R,5S)-2,5-dimethyloxolan-3-yl]oxymethyl-dimethoxyborane?
The InChIKey is PPODNFDNFYWWDI-DJLDLDEBSA-N. The full InChI is InChI=1S/C9H19BO4/c1-7-5-9(8(2)14-7)13-6-10(11-3)12-4/h7-9H,5-6H2,1-4H3/t7-,8+,9+/m0/s1.
What are the key properties of [(2R,3R,5S)-2,5-dimethyloxolan-3-yl]oxymethyl-dimethoxyborane?
[(2R,3R,5S)-2,5-dimethyloxolan-3-yl]oxymethyl-dimethoxyborane has a molecular weight of 202.06 g/mol, XLogP of 0.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,5S)-2,5-dimethyloxolan-3-yl]oxymethyl-dimethoxyborane is sourced from PubChem (CID 163463496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).