(2,5-ditert-butyl-4-ethyl-1,1-dimethylsilol-3-yl)-diethylborane

C20H39BSi — CID 15151072

IUPAC(2,5-ditert-butyl-4-ethyl-1,1-dimethylsilol-3-yl)-diethylborane
SMILESCCB(CC)C1=C(C(C)(C)C)[Si](C)(C)C(C(C)(C)C)=C1CC
InChIInChI=1S/C20H39BSi/c1-12-15-16(21(13-2)14-3)18(20(7,8)9)22(10,11)17(15)19(4,5)6/h12-14H2,1-11H3
InChIKeyUORYIYHAYDHYBD-UHFFFAOYSA-N
MW318.43 g/mol
LogP6.96
Rot. Bonds4

About (2,5-ditert-butyl-4-ethyl-1,1-dimethylsilol-3-yl)-diethylborane

(2,5-ditert-butyl-4-ethyl-1,1-dimethylsilol-3-yl)-diethylborane (PubChem CID 15151072) has the molecular formula C20H39BSi and a molecular weight of 318.43 g/mol. Its IUPAC name is (2,5-ditert-butyl-4-ethyl-1,1-dimethylsilol-3-yl)-diethylborane.

Molecular Properties

Compound Name(2,5-ditert-butyl-4-ethyl-1,1-dimethylsilol-3-yl)-diethylborane
PubChem CID15151072
Molecular FormulaC20H39BSi
Molecular Weight318.43 g/mol
Exact Mass318.29
IUPAC Name(2,5-ditert-butyl-4-ethyl-1,1-dimethylsilol-3-yl)-diethylborane
SMILESCCB(CC)C1=C(C(C)(C)C)[Si](C)(C)C(C(C)(C)C)=C1CC
InChIInChI=1S/C20H39BSi/c1-12-15-16(21(13-2)14-3)18(20(7,8)9)22(10,11)17(15)19(4,5)6/h12-14H2,1-11H3
InChIKeyUORYIYHAYDHYBD-UHFFFAOYSA-N
XLogP6.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.43
LogP ≤ 56.96
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

Dimethylbis(2,3,4,5-tetramethyl-2,4-cyclopentadien-1-yl)silane
CID 601539
1-Silacyclopentadiene, 2-t-butyl-3-(diethylboryl)-4-ethyl-1,1-dimethyl-5-trimethylstannyl-
CID 634330
Diethyl-(4-ethyl-1,1,2,5-tetramethylsilol-3-yl)borane
CID 5325132
Diethyl-[4-ethyl-1,1-dimethyl-2,5-bis(3-methylbutyl)silol-3-yl]borane
CID 15151073
Trimethyl-(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)silane
CID 21189007
Dimethyl-bis(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)silane
CID 21254270
Tri(propan-2-yl)-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 69649590
Tri(propan-2-yl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 140220420
CID 162352840
CID 162352840
(2-Diethylboranyl-3,4,5-trimethylcyclopenta-2,4-dien-1-yl)silane
CID 173305253
CID 12023114
CID 12023114
(2,5-Dibutyl-4-ethyl-1,1-dimethylsilol-3-yl)-diethylborane
CID 15151071

Frequently Asked Questions

What is the IUPAC name of (2,5-ditert-butyl-4-ethyl-1,1-dimethylsilol-3-yl)-diethylborane?
The IUPAC name of (2,5-ditert-butyl-4-ethyl-1,1-dimethylsilol-3-yl)-diethylborane (CID 15151072) is (2,5-ditert-butyl-4-ethyl-1,1-dimethylsilol-3-yl)-diethylborane.
What is the SMILES notation for (2,5-ditert-butyl-4-ethyl-1,1-dimethylsilol-3-yl)-diethylborane?
The canonical SMILES for (2,5-ditert-butyl-4-ethyl-1,1-dimethylsilol-3-yl)-diethylborane is CCB(CC)C1=C(C(C)(C)C)[Si](C)(C)C(C(C)(C)C)=C1CC.
What is the InChIKey of (2,5-ditert-butyl-4-ethyl-1,1-dimethylsilol-3-yl)-diethylborane?
The InChIKey is UORYIYHAYDHYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39BSi/c1-12-15-16(21(13-2)14-3)18(20(7,8)9)22(10,11)17(15)19(4,5)6/h12-14H2,1-11H3.
What are the key properties of (2,5-ditert-butyl-4-ethyl-1,1-dimethylsilol-3-yl)-diethylborane?
(2,5-ditert-butyl-4-ethyl-1,1-dimethylsilol-3-yl)-diethylborane has a molecular weight of 318.43 g/mol, XLogP of 6.96, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-ditert-butyl-4-ethyl-1,1-dimethylsilol-3-yl)-diethylborane is sourced from PubChem (CID 15151072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).