(9-hept-1-ynyl-9-borabicyclo[3.3.2]decan-10-yl)-trimethylsilane

C19H35BSi — CID 102256589

IUPAC(9-hept-1-ynyl-9-borabicyclo[3.3.2]decan-10-yl)-trimethylsilane
SMILESCCCCCC#CB1C2CCCC(CCC2)C1[Si](C)(C)C
InChIInChI=1S/C19H35BSi/c1-5-6-7-8-9-16-20-18-14-10-12-17(13-11-15-18)19(20)21(2,3)4/h17-19H,5-8,10-15H2,1-4H3
InChIKeyXRKNTUMYGQTUAL-UHFFFAOYSA-N
MW302.39 g/mol
LogP6.21
Rot. Bonds4

About (9-hept-1-ynyl-9-borabicyclo[3.3.2]decan-10-yl)-trimethylsilane

(9-hept-1-ynyl-9-borabicyclo[3.3.2]decan-10-yl)-trimethylsilane (PubChem CID 102256589) has the molecular formula C19H35BSi and a molecular weight of 302.39 g/mol. Its IUPAC name is (9-hept-1-ynyl-9-borabicyclo[3.3.2]decan-10-yl)-trimethylsilane.

Molecular Properties

Compound Name(9-hept-1-ynyl-9-borabicyclo[3.3.2]decan-10-yl)-trimethylsilane
PubChem CID102256589
Molecular FormulaC19H35BSi
Molecular Weight302.39 g/mol
Exact Mass302.26
IUPAC Name(9-hept-1-ynyl-9-borabicyclo[3.3.2]decan-10-yl)-trimethylsilane
SMILESCCCCCC#CB1C2CCCC(CCC2)C1[Si](C)(C)C
InChIInChI=1S/C19H35BSi/c1-5-6-7-8-9-16-20-18-14-10-12-17(13-11-15-18)19(20)21(2,3)4/h17-19H,5-8,10-15H2,1-4H3
InChIKeyXRKNTUMYGQTUAL-UHFFFAOYSA-N
XLogP6.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.39
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (9-hept-1-ynyl-9-borabicyclo[3.3.2]decan-10-yl)-trimethylsilane?
The IUPAC name of (9-hept-1-ynyl-9-borabicyclo[3.3.2]decan-10-yl)-trimethylsilane (CID 102256589) is (9-hept-1-ynyl-9-borabicyclo[3.3.2]decan-10-yl)-trimethylsilane.
What is the SMILES notation for (9-hept-1-ynyl-9-borabicyclo[3.3.2]decan-10-yl)-trimethylsilane?
The canonical SMILES for (9-hept-1-ynyl-9-borabicyclo[3.3.2]decan-10-yl)-trimethylsilane is CCCCCC#CB1C2CCCC(CCC2)C1[Si](C)(C)C.
What is the InChIKey of (9-hept-1-ynyl-9-borabicyclo[3.3.2]decan-10-yl)-trimethylsilane?
The InChIKey is XRKNTUMYGQTUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35BSi/c1-5-6-7-8-9-16-20-18-14-10-12-17(13-11-15-18)19(20)21(2,3)4/h17-19H,5-8,10-15H2,1-4H3.
What are the key properties of (9-hept-1-ynyl-9-borabicyclo[3.3.2]decan-10-yl)-trimethylsilane?
(9-hept-1-ynyl-9-borabicyclo[3.3.2]decan-10-yl)-trimethylsilane has a molecular weight of 302.39 g/mol, XLogP of 6.21, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (9-hept-1-ynyl-9-borabicyclo[3.3.2]decan-10-yl)-trimethylsilane is sourced from PubChem (CID 102256589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).