[1-(1,3,2-dioxaborinan-2-yl)-5-methylhexyl]-trimethylsilane

C13H29BO2Si — CID 86236913

IUPAC[1-(1,3,2-dioxaborinan-2-yl)-5-methylhexyl]-trimethylsilane
SMILESCC(C)CCCC(B1OCCCO1)[Si](C)(C)C
InChIInChI=1S/C13H29BO2Si/c1-12(2)8-6-9-13(17(3,4)5)14-15-10-7-11-16-14/h12-13H,6-11H2,1-5H3
InChIKeyCYCAPGOKLPCDQW-UHFFFAOYSA-N
MW256.27 g/mol
LogP3.99
Rot. Bonds6

About [1-(1,3,2-dioxaborinan-2-yl)-5-methylhexyl]-trimethylsilane

[1-(1,3,2-dioxaborinan-2-yl)-5-methylhexyl]-trimethylsilane (PubChem CID 86236913) has the molecular formula C13H29BO2Si and a molecular weight of 256.27 g/mol. Its IUPAC name is [1-(1,3,2-dioxaborinan-2-yl)-5-methylhexyl]-trimethylsilane.

Molecular Properties

Compound Name[1-(1,3,2-dioxaborinan-2-yl)-5-methylhexyl]-trimethylsilane
PubChem CID86236913
Molecular FormulaC13H29BO2Si
Molecular Weight256.27 g/mol
Exact Mass256.20
IUPAC Name[1-(1,3,2-dioxaborinan-2-yl)-5-methylhexyl]-trimethylsilane
SMILESCC(C)CCCC(B1OCCCO1)[Si](C)(C)C
InChIInChI=1S/C13H29BO2Si/c1-12(2)8-6-9-13(17(3,4)5)14-15-10-7-11-16-14/h12-13H,6-11H2,1-5H3
InChIKeyCYCAPGOKLPCDQW-UHFFFAOYSA-N
XLogP3.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 [1-(1,3,2-dioxaborinan-2-yl)-5-methylhexyl]-trimethylsilane?
The IUPAC name of [1-(1,3,2-dioxaborinan-2-yl)-5-methylhexyl]-trimethylsilane (CID 86236913) is [1-(1,3,2-dioxaborinan-2-yl)-5-methylhexyl]-trimethylsilane.
What is the SMILES notation for [1-(1,3,2-dioxaborinan-2-yl)-5-methylhexyl]-trimethylsilane?
The canonical SMILES for [1-(1,3,2-dioxaborinan-2-yl)-5-methylhexyl]-trimethylsilane is CC(C)CCCC(B1OCCCO1)[Si](C)(C)C.
What is the InChIKey of [1-(1,3,2-dioxaborinan-2-yl)-5-methylhexyl]-trimethylsilane?
The InChIKey is CYCAPGOKLPCDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29BO2Si/c1-12(2)8-6-9-13(17(3,4)5)14-15-10-7-11-16-14/h12-13H,6-11H2,1-5H3.
What are the key properties of [1-(1,3,2-dioxaborinan-2-yl)-5-methylhexyl]-trimethylsilane?
[1-(1,3,2-dioxaborinan-2-yl)-5-methylhexyl]-trimethylsilane has a molecular weight of 256.27 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,3,2-dioxaborinan-2-yl)-5-methylhexyl]-trimethylsilane is sourced from PubChem (CID 86236913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).