diethyl-[4-ethyl-1,1-dimethyl-2,5-bis(3-methylbutyl)silol-3-yl]borane

C22H43BSi — CID 15151073

IUPACdiethyl-[4-ethyl-1,1-dimethyl-2,5-bis(3-methylbutyl)silol-3-yl]borane
SMILESCCB(CC)C1=C(CCC(C)C)[Si](C)(C)C(CCC(C)C)=C1CC
InChIInChI=1S/C22H43BSi/c1-10-19-20(15-13-17(4)5)24(8,9)21(16-14-18(6)7)22(19)23(11-2)12-3/h17-18H,10-16H2,1-9H3
InChIKeyJNROGXYPLCIHFB-UHFFFAOYSA-N
MW346.48 g/mol
LogP7.74
Rot. Bonds10

About diethyl-[4-ethyl-1,1-dimethyl-2,5-bis(3-methylbutyl)silol-3-yl]borane

diethyl-[4-ethyl-1,1-dimethyl-2,5-bis(3-methylbutyl)silol-3-yl]borane (PubChem CID 15151073) has the molecular formula C22H43BSi and a molecular weight of 346.48 g/mol. Its IUPAC name is diethyl-[4-ethyl-1,1-dimethyl-2,5-bis(3-methylbutyl)silol-3-yl]borane.

Molecular Properties

Compound Namediethyl-[4-ethyl-1,1-dimethyl-2,5-bis(3-methylbutyl)silol-3-yl]borane
PubChem CID15151073
Molecular FormulaC22H43BSi
Molecular Weight346.48 g/mol
Exact Mass346.32
IUPAC Namediethyl-[4-ethyl-1,1-dimethyl-2,5-bis(3-methylbutyl)silol-3-yl]borane
SMILESCCB(CC)C1=C(CCC(C)C)[Si](C)(C)C(CCC(C)C)=C1CC
InChIInChI=1S/C22H43BSi/c1-10-19-20(15-13-17(4)5)24(8,9)21(16-14-18(6)7)22(19)23(11-2)12-3/h17-18H,10-16H2,1-9H3
InChIKeyJNROGXYPLCIHFB-UHFFFAOYSA-N
XLogP7.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.48
LogP ≤ 57.74
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

Dimethyl-bis(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 15861639
1-Silacyclopentadiene, 3-(diethylboryl)-4-ethyl-1,1-dimethyl-2-(3-methylbutyl)-5-trimethylstannyl-
CID 634639
Bis[2,4-di(propan-2-yl)cyclopenta-2,4-dien-1-yl]-dimethylsilane
CID 15865852
Tri(propan-2-yl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 69649590
Trimethyl-[2,3,4,5-tetra(propan-2-yl)cyclopenta-2,4-dien-1-yl]silane
CID 91244741
Dimethyl-bis(3-methyl-4-propan-2-ylcyclopenta-2,4-dien-1-yl)silane
CID 139667899
Bis[2,4-di(propan-2-yl)cyclopenta-2,4-dien-1-yl]-diethylsilane
CID 139672560
Di(butan-2-yl)-bis[2,4-di(propan-2-yl)cyclopenta-2,4-dien-1-yl]silane
CID 139672569
Di(butan-2-yl)-bis(4-methyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)silane
CID 139672575
Diethyl-bis(4-ethyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)silane
CID 139672577
Bis(4-methyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)-di(propan-2-yl)silane
CID 139672581
Diethyl-bis(4-methyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)silane
CID 139672588

Frequently Asked Questions

What is the IUPAC name of diethyl-[4-ethyl-1,1-dimethyl-2,5-bis(3-methylbutyl)silol-3-yl]borane?
The IUPAC name of diethyl-[4-ethyl-1,1-dimethyl-2,5-bis(3-methylbutyl)silol-3-yl]borane (CID 15151073) is diethyl-[4-ethyl-1,1-dimethyl-2,5-bis(3-methylbutyl)silol-3-yl]borane.
What is the SMILES notation for diethyl-[4-ethyl-1,1-dimethyl-2,5-bis(3-methylbutyl)silol-3-yl]borane?
The canonical SMILES for diethyl-[4-ethyl-1,1-dimethyl-2,5-bis(3-methylbutyl)silol-3-yl]borane is CCB(CC)C1=C(CCC(C)C)[Si](C)(C)C(CCC(C)C)=C1CC.
What is the InChIKey of diethyl-[4-ethyl-1,1-dimethyl-2,5-bis(3-methylbutyl)silol-3-yl]borane?
The InChIKey is JNROGXYPLCIHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43BSi/c1-10-19-20(15-13-17(4)5)24(8,9)21(16-14-18(6)7)22(19)23(11-2)12-3/h17-18H,10-16H2,1-9H3.
What are the key properties of diethyl-[4-ethyl-1,1-dimethyl-2,5-bis(3-methylbutyl)silol-3-yl]borane?
diethyl-[4-ethyl-1,1-dimethyl-2,5-bis(3-methylbutyl)silol-3-yl]borane has a molecular weight of 346.48 g/mol, XLogP of 7.74, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[4-ethyl-1,1-dimethyl-2,5-bis(3-methylbutyl)silol-3-yl]borane is sourced from PubChem (CID 15151073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).