[5-(9-borabicyclo[3.3.1]nonan-9-yl)-1,1-dimethyl-3,4-dihydro-2H-silin-6-yl]-trimethylsilane

C18H35BSi2 — CID 101386700

IUPAC[5-(9-borabicyclo[3.3.1]nonan-9-yl)-1,1-dimethyl-3,4-dihydro-2H-silin-6-yl]-trimethylsilane
SMILESC[Si](C)(C)C1=C(B2C3CCCC2CCC3)CCC[Si]1(C)C
InChIInChI=1S/C18H35BSi2/c1-20(2,3)18-17(13-8-14-21(18,4)5)19-15-9-6-10-16(19)12-7-11-15/h15-16H,6-14H2,1-5H3
InChIKeyWOXFITOBQCQQGZ-UHFFFAOYSA-N
MW318.46 g/mol
LogP6.34
Rot. Bonds2

About [5-(9-borabicyclo[3.3.1]nonan-9-yl)-1,1-dimethyl-3,4-dihydro-2H-silin-6-yl]-trimethylsilane

[5-(9-borabicyclo[3.3.1]nonan-9-yl)-1,1-dimethyl-3,4-dihydro-2H-silin-6-yl]-trimethylsilane (PubChem CID 101386700) has the molecular formula C18H35BSi2 and a molecular weight of 318.46 g/mol. Its IUPAC name is [5-(9-borabicyclo[3.3.1]nonan-9-yl)-1,1-dimethyl-3,4-dihydro-2H-silin-6-yl]-trimethylsilane.

Molecular Properties

Compound Name[5-(9-borabicyclo[3.3.1]nonan-9-yl)-1,1-dimethyl-3,4-dihydro-2H-silin-6-yl]-trimethylsilane
PubChem CID101386700
Molecular FormulaC18H35BSi2
Molecular Weight318.46 g/mol
Exact Mass318.24
IUPAC Name[5-(9-borabicyclo[3.3.1]nonan-9-yl)-1,1-dimethyl-3,4-dihydro-2H-silin-6-yl]-trimethylsilane
SMILESC[Si](C)(C)C1=C(B2C3CCCC2CCC3)CCC[Si]1(C)C
InChIInChI=1S/C18H35BSi2/c1-20(2,3)18-17(13-8-14-21(18,4)5)19-15-9-6-10-16(19)12-7-11-15/h15-16H,6-14H2,1-5H3
InChIKeyWOXFITOBQCQQGZ-UHFFFAOYSA-N
XLogP6.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.46
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[4-(9-borabicyclo[3.3.1]nonan-9-yl)-1-chloro-1-methyl-2,3-dihydrosilol-5-yl]-trimethylsilane
CID 139240269
1-[4-(9-borabicyclo[3.3.1]nonan-9-yl)-1,1,6,6-tetramethyl-2,3-dihydrosilolo[2,3-b]silol-5-yl]-N,N-dimethylmethanamine
CID 46845724
9-methylselanyl-9-borabicyclo[3.3.1]nonane
CID 578631
bis[9-borabicyclo[3.3.1]nonan-9-yl(trimethylsilyl)amino]tin
CID 15845403
trimethyl-[(1,1,3,3-tetramethyl-1,3-disilinan-2-ylidene)methyl-bis(trimethylsilyl)silyl]silane
CID 102483828
N-(2-methylcyclopentyl)pyrimidin-5-amine
CID 107587748
(2,2-diphenyl-4,5,6,6a-tetrahydrocyclopenta[d]oxasilol-3-yl)-trimethylsilane
CID 12994941
2-(9-borabicyclo[3.3.1]nonan-9-yl)propyl-trimethylsilane
CID 12664965
1,1-dimethylsilinan-4-amine chloride
CID 54576542
1,1-dimethyl-2,3,4,5-tetrahydrocyclopenta[b]siline
CID 18990725
9-[[dimethyl-(trimethylsilylamino)silyl]methyl]-9-borabicyclo[3.3.1]nonane
CID 102203884
9-(3,4-dimethylpentan-2-yl)-9-borabicyclo[3.3.1]nonane
CID 135048513

Frequently Asked Questions

What is the IUPAC name of [5-(9-borabicyclo[3.3.1]nonan-9-yl)-1,1-dimethyl-3,4-dihydro-2H-silin-6-yl]-trimethylsilane?
The IUPAC name of [5-(9-borabicyclo[3.3.1]nonan-9-yl)-1,1-dimethyl-3,4-dihydro-2H-silin-6-yl]-trimethylsilane (CID 101386700) is [5-(9-borabicyclo[3.3.1]nonan-9-yl)-1,1-dimethyl-3,4-dihydro-2H-silin-6-yl]-trimethylsilane.
What is the SMILES notation for [5-(9-borabicyclo[3.3.1]nonan-9-yl)-1,1-dimethyl-3,4-dihydro-2H-silin-6-yl]-trimethylsilane?
The canonical SMILES for [5-(9-borabicyclo[3.3.1]nonan-9-yl)-1,1-dimethyl-3,4-dihydro-2H-silin-6-yl]-trimethylsilane is C[Si](C)(C)C1=C(B2C3CCCC2CCC3)CCC[Si]1(C)C.
What is the InChIKey of [5-(9-borabicyclo[3.3.1]nonan-9-yl)-1,1-dimethyl-3,4-dihydro-2H-silin-6-yl]-trimethylsilane?
The InChIKey is WOXFITOBQCQQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35BSi2/c1-20(2,3)18-17(13-8-14-21(18,4)5)19-15-9-6-10-16(19)12-7-11-15/h15-16H,6-14H2,1-5H3.
What are the key properties of [5-(9-borabicyclo[3.3.1]nonan-9-yl)-1,1-dimethyl-3,4-dihydro-2H-silin-6-yl]-trimethylsilane?
[5-(9-borabicyclo[3.3.1]nonan-9-yl)-1,1-dimethyl-3,4-dihydro-2H-silin-6-yl]-trimethylsilane has a molecular weight of 318.46 g/mol, XLogP of 6.34, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(9-borabicyclo[3.3.1]nonan-9-yl)-1,1-dimethyl-3,4-dihydro-2H-silin-6-yl]-trimethylsilane is sourced from PubChem (CID 101386700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).