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

C17H33BSi — CID 177411032

IUPACdiethyl-[4-ethyl-1,1-dimethyl-5-(3-methylbutyl)silol-3-yl]borane
SMILESCCB(CC)C1=C[Si](C)(C)C(CCC(C)C)=C1CC
InChIInChI=1S/C17H33BSi/c1-8-15-16(18(9-2)10-3)13-19(6,7)17(15)12-11-14(4)5/h13-14H,8-12H2,1-7H3
InChIKeyNYATUGUZMHPIOI-UHFFFAOYSA-N
MW276.35 g/mol
LogP5.93
Rot. Bonds7

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

diethyl-[4-ethyl-1,1-dimethyl-5-(3-methylbutyl)silol-3-yl]borane (PubChem CID 177411032) has the molecular formula C17H33BSi and a molecular weight of 276.35 g/mol. Its IUPAC name is diethyl-[4-ethyl-1,1-dimethyl-5-(3-methylbutyl)silol-3-yl]borane.

Molecular Properties

Compound Namediethyl-[4-ethyl-1,1-dimethyl-5-(3-methylbutyl)silol-3-yl]borane
PubChem CID177411032
Molecular FormulaC17H33BSi
Molecular Weight276.35 g/mol
Exact Mass276.24
IUPAC Namediethyl-[4-ethyl-1,1-dimethyl-5-(3-methylbutyl)silol-3-yl]borane
SMILESCCB(CC)C1=C[Si](C)(C)C(CCC(C)C)=C1CC
InChIInChI=1S/C17H33BSi/c1-8-15-16(18(9-2)10-3)13-19(6,7)17(15)12-11-14(4)5/h13-14H,8-12H2,1-7H3
InChIKeyNYATUGUZMHPIOI-UHFFFAOYSA-N
XLogP5.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.35
LogP ≤ 55.93
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

1-Silacyclopentadiene, 3-(diethylboryl)-4-ethyl-1,1-dimethyl-2-(3-methylbutyl)-5-trimethylstannyl-
CID 634639
Diethyl-[4-ethyl-1,1-dimethyl-2,5-bis(3-methylbutyl)silol-3-yl]borane
CID 15151073
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-(4-propan-2-ylcyclopenta-1,4-dien-1-yl)silane
CID 88303301
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
Bis(4-butan-2-yl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)-di(propan-2-yl)silane
CID 139672564
Dimethyl-bis(2-propan-2-yl-4-triethylsilylcyclopenta-2,4-dien-1-yl)silane
CID 139672567
Di(butan-2-yl)-bis[2,4-di(propan-2-yl)cyclopenta-2,4-dien-1-yl]silane
CID 139672569
Bis(4-butan-2-yl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)-diethylsilane
CID 139672574

Frequently Asked Questions

What is the IUPAC name of diethyl-[4-ethyl-1,1-dimethyl-5-(3-methylbutyl)silol-3-yl]borane?
The IUPAC name of diethyl-[4-ethyl-1,1-dimethyl-5-(3-methylbutyl)silol-3-yl]borane (CID 177411032) is diethyl-[4-ethyl-1,1-dimethyl-5-(3-methylbutyl)silol-3-yl]borane.
What is the SMILES notation for diethyl-[4-ethyl-1,1-dimethyl-5-(3-methylbutyl)silol-3-yl]borane?
The canonical SMILES for diethyl-[4-ethyl-1,1-dimethyl-5-(3-methylbutyl)silol-3-yl]borane is CCB(CC)C1=C[Si](C)(C)C(CCC(C)C)=C1CC.
What is the InChIKey of diethyl-[4-ethyl-1,1-dimethyl-5-(3-methylbutyl)silol-3-yl]borane?
The InChIKey is NYATUGUZMHPIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33BSi/c1-8-15-16(18(9-2)10-3)13-19(6,7)17(15)12-11-14(4)5/h13-14H,8-12H2,1-7H3.
What are the key properties of diethyl-[4-ethyl-1,1-dimethyl-5-(3-methylbutyl)silol-3-yl]borane?
diethyl-[4-ethyl-1,1-dimethyl-5-(3-methylbutyl)silol-3-yl]borane has a molecular weight of 276.35 g/mol, XLogP of 5.93, 7 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-5-(3-methylbutyl)silol-3-yl]borane is sourced from PubChem (CID 177411032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).