bis[[(2R)-oxolan-2-yl]methyl] [(2S)-oxolan-2-yl]methyl borate

C15H27BO6 — CID 124629023

IUPACbis[[(2R)-oxolan-2-yl]methyl] [(2S)-oxolan-2-yl]methyl borate
SMILESC1CO[C@@H](COB(OC[C@H]2CCCO2)OC[C@@H]2CCCO2)C1
InChIInChI=1S/C15H27BO6/c1-4-13(17-7-1)10-20-16(21-11-14-5-2-8-18-14)22-12-15-6-3-9-19-15/h13-15H,1-12H2/t13-,14-,15+/m1/s1
InChIKeyMCTPAFAHCPKXRC-KFWWJZLASA-N
MW314.19 g/mol
LogP1.56
Rot. Bonds9

About bis[[(2R)-oxolan-2-yl]methyl] [(2S)-oxolan-2-yl]methyl borate

bis[[(2R)-oxolan-2-yl]methyl] [(2S)-oxolan-2-yl]methyl borate (PubChem CID 124629023) has the molecular formula C15H27BO6 and a molecular weight of 314.19 g/mol. Its IUPAC name is bis[[(2R)-oxolan-2-yl]methyl] [(2S)-oxolan-2-yl]methyl borate.

Molecular Properties

Compound Namebis[[(2R)-oxolan-2-yl]methyl] [(2S)-oxolan-2-yl]methyl borate
PubChem CID124629023
Molecular FormulaC15H27BO6
Molecular Weight314.19 g/mol
Exact Mass314.19
IUPAC Namebis[[(2R)-oxolan-2-yl]methyl] [(2S)-oxolan-2-yl]methyl borate
SMILESC1CO[C@@H](COB(OC[C@H]2CCCO2)OC[C@@H]2CCCO2)C1
InChIInChI=1S/C15H27BO6/c1-4-13(17-7-1)10-20-16(21-11-14-5-2-8-18-14)22-12-15-6-3-9-19-15/h13-15H,1-12H2/t13-,14-,15+/m1/s1
InChIKeyMCTPAFAHCPKXRC-KFWWJZLASA-N
XLogP1.56
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.19
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

oxolan-2-ylmethyl hypochlorite
CID 22491519
(2R)-2-(sulfanyloxymethyl)oxolane
CID 139553525
[(2S)-oxolan-2-yl]methoxymethanamine
CID 126553312
trimethyl(oxolan-2-ylmethoxy)silane
CID 551445
ethane;oxolan-2-ylmethoxythallium
CID 142985824
oxolan-2-ylmethoxy-di(propan-2-yl)silane
CID 555128
2-(phosphorosooxymethyl)oxolane
CID 58971159
tris(oxolan-2-ylmethoxy)methylsilane
CID 123161768
2-[[(2R)-oxolan-2-yl]methoxy]ethylazanium
CID 7219875
2-[Di(tert-butyl)silyloxymethyl]tetrahydrofurane
CID 6329411
methyl-oxo-(oxolan-2-ylmethoxy)phosphanium
CID 59116285
O-(oxolan-2-ylmethyl) ethanethioate
CID 91101390

Frequently Asked Questions

What is the IUPAC name of bis[[(2R)-oxolan-2-yl]methyl] [(2S)-oxolan-2-yl]methyl borate?
The IUPAC name of bis[[(2R)-oxolan-2-yl]methyl] [(2S)-oxolan-2-yl]methyl borate (CID 124629023) is bis[[(2R)-oxolan-2-yl]methyl] [(2S)-oxolan-2-yl]methyl borate.
What is the SMILES notation for bis[[(2R)-oxolan-2-yl]methyl] [(2S)-oxolan-2-yl]methyl borate?
The canonical SMILES for bis[[(2R)-oxolan-2-yl]methyl] [(2S)-oxolan-2-yl]methyl borate is C1CO[C@@H](COB(OC[C@H]2CCCO2)OC[C@@H]2CCCO2)C1.
What is the InChIKey of bis[[(2R)-oxolan-2-yl]methyl] [(2S)-oxolan-2-yl]methyl borate?
The InChIKey is MCTPAFAHCPKXRC-KFWWJZLASA-N. The full InChI is InChI=1S/C15H27BO6/c1-4-13(17-7-1)10-20-16(21-11-14-5-2-8-18-14)22-12-15-6-3-9-19-15/h13-15H,1-12H2/t13-,14-,15+/m1/s1.
What are the key properties of bis[[(2R)-oxolan-2-yl]methyl] [(2S)-oxolan-2-yl]methyl borate?
bis[[(2R)-oxolan-2-yl]methyl] [(2S)-oxolan-2-yl]methyl borate has a molecular weight of 314.19 g/mol, XLogP of 1.56, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis[[(2R)-oxolan-2-yl]methyl] [(2S)-oxolan-2-yl]methyl borate is sourced from PubChem (CID 124629023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).