[3-diethylboranyl-4-ethyl-1,1,6,6-tetramethyl-2-(3-methylbutyl)stannolo[2,3-b]silol-5-yl]-dimethyl-(5-methylhex-1-ynyl)silane

C30H55BSi2Sn — CID 15495149

IUPAC[3-diethylboranyl-4-ethyl-1,1,6,6-tetramethyl-2-(3-methylbutyl)stannolo[2,3-b]silol-5-yl]-dimethyl-(5-methylhex-1-ynyl)silane
SMILESCCB(CC)C1=C(CCC(C)C)[Si](C)(C)C2=C1C(CC)=C([Si](C)(C)C#CCCC(C)C)[Sn]2(C)C
InChIInChI=1S/C28H49BSi2.2CH3.Sn/c1-12-25(21-30(8,9)20-16-15-17-23(4)5)26-22-31(10,11)27(19-18-24(6)7)28(26)29(13-2)14-3;;;/h23-24H,12-15,17-19H2,1-11H3;2*1H3;
InChIKeyBSHQBQUKWCWXPI-UHFFFAOYSA-N
MW601.47 g/mol
LogP9.62
Rot. Bonds10

About [3-diethylboranyl-4-ethyl-1,1,6,6-tetramethyl-2-(3-methylbutyl)stannolo[2,3-b]silol-5-yl]-dimethyl-(5-methylhex-1-ynyl)silane

[3-diethylboranyl-4-ethyl-1,1,6,6-tetramethyl-2-(3-methylbutyl)stannolo[2,3-b]silol-5-yl]-dimethyl-(5-methylhex-1-ynyl)silane (PubChem CID 15495149) has the molecular formula C30H55BSi2Sn and a molecular weight of 601.47 g/mol. Its IUPAC name is [3-diethylboranyl-4-ethyl-1,1,6,6-tetramethyl-2-(3-methylbutyl)stannolo[2,3-b]silol-5-yl]-dimethyl-(5-methylhex-1-ynyl)silane.

Molecular Properties

Compound Name[3-diethylboranyl-4-ethyl-1,1,6,6-tetramethyl-2-(3-methylbutyl)stannolo[2,3-b]silol-5-yl]-dimethyl-(5-methylhex-1-ynyl)silane
PubChem CID15495149
Molecular FormulaC30H55BSi2Sn
Molecular Weight601.47 g/mol
Exact Mass602.30
IUPAC Name[3-diethylboranyl-4-ethyl-1,1,6,6-tetramethyl-2-(3-methylbutyl)stannolo[2,3-b]silol-5-yl]-dimethyl-(5-methylhex-1-ynyl)silane
SMILESCCB(CC)C1=C(CCC(C)C)[Si](C)(C)C2=C1C(CC)=C([Si](C)(C)C#CCCC(C)C)[Sn]2(C)C
InChIInChI=1S/C28H49BSi2.2CH3.Sn/c1-12-25(21-30(8,9)20-16-15-17-23(4)5)26-22-31(10,11)27(19-18-24(6)7)28(26)29(13-2)14-3;;;/h23-24H,12-15,17-19H2,1-11H3;2*1H3;
InChIKeyBSHQBQUKWCWXPI-UHFFFAOYSA-N
XLogP9.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.47
LogP ≤ 59.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-Silacyclopentadiene, 3-(diethylboryl)-4-ethyl-1,1-dimethyl-2-(3-methylbutyl)-5-trimethylstannyl-
CID 634639
Bis[4-diethylboranyl-3-ethyl-1,1-dimethyl-5-(3-methylbutyl)silol-2-yl]-dimethylstannane
CID 15495139
[3-Diethylboranyl-5-[dimethyl(5-methylhex-1-ynyl)silyl]-4-ethyl-1,1-dimethylstannol-2-yl]-dimethyl-(5-methylhex-1-ynyl)silane
CID 15495145
(2-Butyl-3-diethylboranyl-4-ethyl-1,1,6,6-tetramethylstannolo[2,3-b]silol-5-yl)-hex-1-ynyl-dimethylsilane
CID 15495148

Frequently Asked Questions

What is the IUPAC name of [3-diethylboranyl-4-ethyl-1,1,6,6-tetramethyl-2-(3-methylbutyl)stannolo[2,3-b]silol-5-yl]-dimethyl-(5-methylhex-1-ynyl)silane?
The IUPAC name of [3-diethylboranyl-4-ethyl-1,1,6,6-tetramethyl-2-(3-methylbutyl)stannolo[2,3-b]silol-5-yl]-dimethyl-(5-methylhex-1-ynyl)silane (CID 15495149) is [3-diethylboranyl-4-ethyl-1,1,6,6-tetramethyl-2-(3-methylbutyl)stannolo[2,3-b]silol-5-yl]-dimethyl-(5-methylhex-1-ynyl)silane.
What is the SMILES notation for [3-diethylboranyl-4-ethyl-1,1,6,6-tetramethyl-2-(3-methylbutyl)stannolo[2,3-b]silol-5-yl]-dimethyl-(5-methylhex-1-ynyl)silane?
The canonical SMILES for [3-diethylboranyl-4-ethyl-1,1,6,6-tetramethyl-2-(3-methylbutyl)stannolo[2,3-b]silol-5-yl]-dimethyl-(5-methylhex-1-ynyl)silane is CCB(CC)C1=C(CCC(C)C)[Si](C)(C)C2=C1C(CC)=C([Si](C)(C)C#CCCC(C)C)[Sn]2(C)C.
What is the InChIKey of [3-diethylboranyl-4-ethyl-1,1,6,6-tetramethyl-2-(3-methylbutyl)stannolo[2,3-b]silol-5-yl]-dimethyl-(5-methylhex-1-ynyl)silane?
The InChIKey is BSHQBQUKWCWXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H49BSi2.2CH3.Sn/c1-12-25(21-30(8,9)20-16-15-17-23(4)5)26-22-31(10,11)27(19-18-24(6)7)28(26)29(13-2)14-3;;;/h23-24H,12-15,17-19H2,1-11H3;2*1H3;.
What are the key properties of [3-diethylboranyl-4-ethyl-1,1,6,6-tetramethyl-2-(3-methylbutyl)stannolo[2,3-b]silol-5-yl]-dimethyl-(5-methylhex-1-ynyl)silane?
[3-diethylboranyl-4-ethyl-1,1,6,6-tetramethyl-2-(3-methylbutyl)stannolo[2,3-b]silol-5-yl]-dimethyl-(5-methylhex-1-ynyl)silane has a molecular weight of 601.47 g/mol, XLogP of 9.62, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-diethylboranyl-4-ethyl-1,1,6,6-tetramethyl-2-(3-methylbutyl)stannolo[2,3-b]silol-5-yl]-dimethyl-(5-methylhex-1-ynyl)silane is sourced from PubChem (CID 15495149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).