[5-[(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)methyl]-2-methylfuran-3-yl]methoxy-dimethylsilane

C14H25BO4Si — CID 173093461

IUPAC[5-[(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)methyl]-2-methylfuran-3-yl]methoxy-dimethylsilane
SMILESCc1oc(CB2OCC(C)(C)CO2)cc1CO[SiH](C)C
InChIInChI=1S/C14H25BO4Si/c1-11-12(8-18-20(4)5)6-13(19-11)7-15-16-9-14(2,3)10-17-15/h6,20H,7-10H2,1-5H3
InChIKeyXZTVAFIVXDAAJY-UHFFFAOYSA-N
MW296.25 g/mol
LogP2.73
Rot. Bonds5

About [5-[(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)methyl]-2-methylfuran-3-yl]methoxy-dimethylsilane

[5-[(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)methyl]-2-methylfuran-3-yl]methoxy-dimethylsilane (PubChem CID 173093461) has the molecular formula C14H25BO4Si and a molecular weight of 296.25 g/mol. Its IUPAC name is [5-[(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)methyl]-2-methylfuran-3-yl]methoxy-dimethylsilane.

Molecular Properties

Compound Name[5-[(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)methyl]-2-methylfuran-3-yl]methoxy-dimethylsilane
PubChem CID173093461
Molecular FormulaC14H25BO4Si
Molecular Weight296.25 g/mol
Exact Mass296.16
IUPAC Name[5-[(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)methyl]-2-methylfuran-3-yl]methoxy-dimethylsilane
SMILESCc1oc(CB2OCC(C)(C)CO2)cc1CO[SiH](C)C
InChIInChI=1S/C14H25BO4Si/c1-11-12(8-18-20(4)5)6-13(19-11)7-15-16-9-14(2,3)10-17-15/h6,20H,7-10H2,1-5H3
InChIKeyXZTVAFIVXDAAJY-UHFFFAOYSA-N
XLogP2.73
TPSA40.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-[(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)methyl]-2-methylfuran-3-yl]methoxy-dimethylsilane?
The IUPAC name of [5-[(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)methyl]-2-methylfuran-3-yl]methoxy-dimethylsilane (CID 173093461) is [5-[(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)methyl]-2-methylfuran-3-yl]methoxy-dimethylsilane.
What is the SMILES notation for [5-[(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)methyl]-2-methylfuran-3-yl]methoxy-dimethylsilane?
The canonical SMILES for [5-[(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)methyl]-2-methylfuran-3-yl]methoxy-dimethylsilane is Cc1oc(CB2OCC(C)(C)CO2)cc1CO[SiH](C)C.
What is the InChIKey of [5-[(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)methyl]-2-methylfuran-3-yl]methoxy-dimethylsilane?
The InChIKey is XZTVAFIVXDAAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25BO4Si/c1-11-12(8-18-20(4)5)6-13(19-11)7-15-16-9-14(2,3)10-17-15/h6,20H,7-10H2,1-5H3.
What are the key properties of [5-[(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)methyl]-2-methylfuran-3-yl]methoxy-dimethylsilane?
[5-[(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)methyl]-2-methylfuran-3-yl]methoxy-dimethylsilane has a molecular weight of 296.25 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)methyl]-2-methylfuran-3-yl]methoxy-dimethylsilane is sourced from PubChem (CID 173093461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).