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

C20H39BSi — CID 15151071

IUPAC(2,5-dibutyl-4-ethyl-1,1-dimethylsilol-3-yl)-diethylborane
SMILESCCCCC1=C(CC)C(B(CC)CC)=C(CCCC)[Si]1(C)C
InChIInChI=1S/C20H39BSi/c1-8-13-15-18-17(10-3)20(21(11-4)12-5)19(16-14-9-2)22(18,6)7/h8-16H2,1-7H3
InChIKeyHTHKHBUNEDKJQO-UHFFFAOYSA-N
MW318.43 g/mol
LogP7.24
Rot. Bonds10

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

(2,5-dibutyl-4-ethyl-1,1-dimethylsilol-3-yl)-diethylborane (PubChem CID 15151071) has the molecular formula C20H39BSi and a molecular weight of 318.43 g/mol. Its IUPAC name is (2,5-dibutyl-4-ethyl-1,1-dimethylsilol-3-yl)-diethylborane.

Molecular Properties

Compound Name(2,5-dibutyl-4-ethyl-1,1-dimethylsilol-3-yl)-diethylborane
PubChem CID15151071
Molecular FormulaC20H39BSi
Molecular Weight318.43 g/mol
Exact Mass318.29
IUPAC Name(2,5-dibutyl-4-ethyl-1,1-dimethylsilol-3-yl)-diethylborane
SMILESCCCCC1=C(CC)C(B(CC)CC)=C(CCCC)[Si]1(C)C
InChIInChI=1S/C20H39BSi/c1-8-13-15-18-17(10-3)20(21(11-4)12-5)19(16-14-9-2)22(18,6)7/h8-16H2,1-7H3
InChIKeyHTHKHBUNEDKJQO-UHFFFAOYSA-N
XLogP7.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.43
LogP ≤ 57.24
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

Trimethyl(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 3456028
1,1,2,2-Tetramethyl-1,2-bis(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)disilane
CID 15327904
Dimethylbis(2,3,4,5-tetramethyl-2,4-cyclopentadien-1-yl)silane
CID 601539
Ditert-butyl-[dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silyl]phosphane
CID 173649804
1,1-Dimethyl-2,3,4,5-tetrapropylsilacyclopenta-2,4-diene
CID 12190885
1-Silacyclopentadiene, 2-t-butyl-3-(diethylboryl)-4-ethyl-1,1-dimethyl-5-trimethylstannyl-
CID 634330
1-Silacyclopentadiene, 3-(diethylboryl)-4-ethyl-1,1-dimethyl-2-(3-methylbutyl)-5-trimethylstannyl-
CID 634639
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-(2,3,4,5-tetraethyl-1-trimethylsilylsilol-1-yl)silane
CID 15329687
CID 15913125
CID 15913125
Trimethyl-(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)silane
CID 21189007

Frequently Asked Questions

What is the IUPAC name of (2,5-dibutyl-4-ethyl-1,1-dimethylsilol-3-yl)-diethylborane?
The IUPAC name of (2,5-dibutyl-4-ethyl-1,1-dimethylsilol-3-yl)-diethylborane (CID 15151071) is (2,5-dibutyl-4-ethyl-1,1-dimethylsilol-3-yl)-diethylborane.
What is the SMILES notation for (2,5-dibutyl-4-ethyl-1,1-dimethylsilol-3-yl)-diethylborane?
The canonical SMILES for (2,5-dibutyl-4-ethyl-1,1-dimethylsilol-3-yl)-diethylborane is CCCCC1=C(CC)C(B(CC)CC)=C(CCCC)[Si]1(C)C.
What is the InChIKey of (2,5-dibutyl-4-ethyl-1,1-dimethylsilol-3-yl)-diethylborane?
The InChIKey is HTHKHBUNEDKJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39BSi/c1-8-13-15-18-17(10-3)20(21(11-4)12-5)19(16-14-9-2)22(18,6)7/h8-16H2,1-7H3.
What are the key properties of (2,5-dibutyl-4-ethyl-1,1-dimethylsilol-3-yl)-diethylborane?
(2,5-dibutyl-4-ethyl-1,1-dimethylsilol-3-yl)-diethylborane has a molecular weight of 318.43 g/mol, XLogP of 7.24, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibutyl-4-ethyl-1,1-dimethylsilol-3-yl)-diethylborane is sourced from PubChem (CID 15151071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).