(2-butyl-3-diethylboranyl-4-ethyl-1,1,6,6-tetramethylstannolo[2,3-b]silol-5-yl)-hex-1-ynyl-dimethylsilane

C28H51BSi2Sn — CID 15495148

IUPAC(2-butyl-3-diethylboranyl-4-ethyl-1,1,6,6-tetramethylstannolo[2,3-b]silol-5-yl)-hex-1-ynyl-dimethylsilane
SMILESCCCCC#C[Si](C)(C)C1=C(CC)C2=C([Si](C)(C)C(CCCC)=C2B(CC)CC)[Sn]1(C)C
InChIInChI=1S/C26H45BSi2.2CH3.Sn/c1-10-15-17-18-20-28(6,7)21-23(12-3)24-22-29(8,9)25(19-16-11-2)26(24)27(13-4)14-5;;;/h10-17,19H2,1-9H3;2*1H3;
InChIKeyPBCFNROXPSHKPP-UHFFFAOYSA-N
MW573.41 g/mol
LogP9.13
Rot. Bonds10

About (2-butyl-3-diethylboranyl-4-ethyl-1,1,6,6-tetramethylstannolo[2,3-b]silol-5-yl)-hex-1-ynyl-dimethylsilane

(2-butyl-3-diethylboranyl-4-ethyl-1,1,6,6-tetramethylstannolo[2,3-b]silol-5-yl)-hex-1-ynyl-dimethylsilane (PubChem CID 15495148) has the molecular formula C28H51BSi2Sn and a molecular weight of 573.41 g/mol. Its IUPAC name is (2-butyl-3-diethylboranyl-4-ethyl-1,1,6,6-tetramethylstannolo[2,3-b]silol-5-yl)-hex-1-ynyl-dimethylsilane.

Molecular Properties

Compound Name(2-butyl-3-diethylboranyl-4-ethyl-1,1,6,6-tetramethylstannolo[2,3-b]silol-5-yl)-hex-1-ynyl-dimethylsilane
PubChem CID15495148
Molecular FormulaC28H51BSi2Sn
Molecular Weight573.41 g/mol
Exact Mass574.26
IUPAC Name(2-butyl-3-diethylboranyl-4-ethyl-1,1,6,6-tetramethylstannolo[2,3-b]silol-5-yl)-hex-1-ynyl-dimethylsilane
SMILESCCCCC#C[Si](C)(C)C1=C(CC)C2=C([Si](C)(C)C(CCCC)=C2B(CC)CC)[Sn]1(C)C
InChIInChI=1S/C26H45BSi2.2CH3.Sn/c1-10-15-17-18-20-28(6,7)21-23(12-3)24-22-29(8,9)25(19-16-11-2)26(24)27(13-4)14-5;;;/h10-17,19H2,1-9H3;2*1H3;
InChIKeyPBCFNROXPSHKPP-UHFFFAOYSA-N
XLogP9.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.41
LogP ≤ 59.13
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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Related Compounds

(3-Diethylboranyl-4-ethyl-1,1,6,6-tetramethyl-5-trimethylstannylsilolo[2,3-b]silol-2-yl)-dimethyl-(2-trimethylsilylethynyl)silane
CID 15495133
Bis(5-butyl-4-diethylboranyl-3-ethyl-1,1-dimethylsilol-2-yl)-dimethylstannane
CID 15495137
[3-Diethylboranyl-4-ethyl-5-[hex-1-ynyl(dimethyl)silyl]-1,1-dimethylstannol-2-yl]-hex-1-ynyl-dimethylsilane
CID 15495143
[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
[3-Diethylboranyl-5-[dimethyl(2-trimethylsilylethynyl)silyl]-4-ethyl-1,1,6,6-tetramethylstannolo[2,3-b]silol-2-yl]-trimethylsilane
CID 15495150
(5-Butyl-4-diethylboranyl-3-ethyl-1,1-dimethylsilol-2-yl)-trimethylstannane
CID 21605716

Frequently Asked Questions

What is the IUPAC name of (2-butyl-3-diethylboranyl-4-ethyl-1,1,6,6-tetramethylstannolo[2,3-b]silol-5-yl)-hex-1-ynyl-dimethylsilane?
The IUPAC name of (2-butyl-3-diethylboranyl-4-ethyl-1,1,6,6-tetramethylstannolo[2,3-b]silol-5-yl)-hex-1-ynyl-dimethylsilane (CID 15495148) is (2-butyl-3-diethylboranyl-4-ethyl-1,1,6,6-tetramethylstannolo[2,3-b]silol-5-yl)-hex-1-ynyl-dimethylsilane.
What is the SMILES notation for (2-butyl-3-diethylboranyl-4-ethyl-1,1,6,6-tetramethylstannolo[2,3-b]silol-5-yl)-hex-1-ynyl-dimethylsilane?
The canonical SMILES for (2-butyl-3-diethylboranyl-4-ethyl-1,1,6,6-tetramethylstannolo[2,3-b]silol-5-yl)-hex-1-ynyl-dimethylsilane is CCCCC#C[Si](C)(C)C1=C(CC)C2=C([Si](C)(C)C(CCCC)=C2B(CC)CC)[Sn]1(C)C.
What is the InChIKey of (2-butyl-3-diethylboranyl-4-ethyl-1,1,6,6-tetramethylstannolo[2,3-b]silol-5-yl)-hex-1-ynyl-dimethylsilane?
The InChIKey is PBCFNROXPSHKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H45BSi2.2CH3.Sn/c1-10-15-17-18-20-28(6,7)21-23(12-3)24-22-29(8,9)25(19-16-11-2)26(24)27(13-4)14-5;;;/h10-17,19H2,1-9H3;2*1H3;.
What are the key properties of (2-butyl-3-diethylboranyl-4-ethyl-1,1,6,6-tetramethylstannolo[2,3-b]silol-5-yl)-hex-1-ynyl-dimethylsilane?
(2-butyl-3-diethylboranyl-4-ethyl-1,1,6,6-tetramethylstannolo[2,3-b]silol-5-yl)-hex-1-ynyl-dimethylsilane has a molecular weight of 573.41 g/mol, XLogP of 9.13, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butyl-3-diethylboranyl-4-ethyl-1,1,6,6-tetramethylstannolo[2,3-b]silol-5-yl)-hex-1-ynyl-dimethylsilane is sourced from PubChem (CID 15495148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).