[2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]boronic acid

C15H31BO4Si — CID 66653110

IUPAC[2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]boronic acid
SMILESCC(C)[Si](OCC1CCC=C(B(O)O)O1)(C(C)C)C(C)C
InChIInChI=1S/C15H31BO4Si/c1-11(2)21(12(3)4,13(5)6)19-10-14-8-7-9-15(20-14)16(17)18/h9,11-14,17-18H,7-8,10H2,1-6H3
InChIKeyHNYKBJCCKRRDAK-UHFFFAOYSA-N
MW314.31 g/mol
LogP3.25
Rot. Bonds7

About [2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]boronic acid

[2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]boronic acid (PubChem CID 66653110) has the molecular formula C15H31BO4Si and a molecular weight of 314.31 g/mol. Its IUPAC name is [2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]boronic acid.

Molecular Properties

Compound Name[2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]boronic acid
PubChem CID66653110
Molecular FormulaC15H31BO4Si
Molecular Weight314.31 g/mol
Exact Mass314.21
IUPAC Name[2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]boronic acid
SMILESCC(C)[Si](OCC1CCC=C(B(O)O)O1)(C(C)C)C(C)C
InChIInChI=1S/C15H31BO4Si/c1-11(2)21(12(3)4,13(5)6)19-10-14-8-7-9-15(20-14)16(17)18/h9,11-14,17-18H,7-8,10H2,1-6H3
InChIKeyHNYKBJCCKRRDAK-UHFFFAOYSA-N
XLogP3.25
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-3,4-dihydro-2H-pyran-2-yl]methoxy-tri(propan-2-yl)silane
CID 15883109
(2R,3R,4R)-3,4-bis(triisopropylsilyloxy)-2-((triisopropylsilyloxy)methyl)-3,4-dihydro-2H-pyran-6-ylboronic acid
CID 66652675
3,4-dihydro-2H-pyran-2-ylmethoxy-tri(propan-2-yl)silane
CID 85448489
[(2R)-3,4-dihydro-2H-pyran-2-yl]methoxy-tri(propan-2-yl)silane
CID 15883110
3,4-dihydro-2H-pyran-2-ylmethoxy-diethyl-methylsilane
CID 23263649

Frequently Asked Questions

What is the IUPAC name of [2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]boronic acid?
The IUPAC name of [2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]boronic acid (CID 66653110) is [2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]boronic acid.
What is the SMILES notation for [2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]boronic acid?
The canonical SMILES for [2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]boronic acid is CC(C)[Si](OCC1CCC=C(B(O)O)O1)(C(C)C)C(C)C.
What is the InChIKey of [2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]boronic acid?
The InChIKey is HNYKBJCCKRRDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31BO4Si/c1-11(2)21(12(3)4,13(5)6)19-10-14-8-7-9-15(20-14)16(17)18/h9,11-14,17-18H,7-8,10H2,1-6H3.
What are the key properties of [2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]boronic acid?
[2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]boronic acid has a molecular weight of 314.31 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]boronic acid is sourced from PubChem (CID 66653110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).