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

C19H36BClSi — CID 102279336

IUPAC(2,5-dibutyl-1-chloro-4-ethyl-1-methylsilol-3-yl)-diethylborane
SMILESCCCCC1=C(CC)C(B(CC)CC)=C(CCCC)[Si]1(C)Cl
InChIInChI=1S/C19H36BClSi/c1-7-12-14-17-16(9-3)19(20(10-4)11-5)18(15-13-8-2)22(17,6)21/h7-15H2,1-6H3
InChIKeyADULJNDJRYWZEL-UHFFFAOYSA-N
MW338.85 g/mol
LogP7.35
Rot. Bonds10

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

(2,5-dibutyl-1-chloro-4-ethyl-1-methylsilol-3-yl)-diethylborane (PubChem CID 102279336) has the molecular formula C19H36BClSi and a molecular weight of 338.85 g/mol. Its IUPAC name is (2,5-dibutyl-1-chloro-4-ethyl-1-methylsilol-3-yl)-diethylborane.

Molecular Properties

Compound Name(2,5-dibutyl-1-chloro-4-ethyl-1-methylsilol-3-yl)-diethylborane
PubChem CID102279336
Molecular FormulaC19H36BClSi
Molecular Weight338.85 g/mol
Exact Mass338.24
IUPAC Name(2,5-dibutyl-1-chloro-4-ethyl-1-methylsilol-3-yl)-diethylborane
SMILESCCCCC1=C(CC)C(B(CC)CC)=C(CCCC)[Si]1(C)Cl
InChIInChI=1S/C19H36BClSi/c1-7-12-14-17-16(9-3)19(20(10-4)11-5)18(15-13-8-2)22(17,6)21/h7-15H2,1-6H3
InChIKeyADULJNDJRYWZEL-UHFFFAOYSA-N
XLogP7.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.85
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

Chlorodimethyl(2,3,4,5-tetramethyl-2,4-cyclopentadien-1-yl)silane
CID 5045335
Dimethylbis(2,3,4,5-tetramethyl-2,4-cyclopentadien-1-yl)silane
CID 601539
Silane, dichlorobis(2,3,4,5-tetramethyl-2,4-cyclopentadien-1-yl)-
CID 10936760
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
Tetramethylcyclopentadienyl methyl silicon dichloride
CID 11322281
Tert-butyl-dichloro-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 18720349
Chloro-methyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 59884244
Tert-butyl-chloro-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 59884248
Tri(propan-2-yl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 140220420

Frequently Asked Questions

What is the IUPAC name of (2,5-dibutyl-1-chloro-4-ethyl-1-methylsilol-3-yl)-diethylborane?
The IUPAC name of (2,5-dibutyl-1-chloro-4-ethyl-1-methylsilol-3-yl)-diethylborane (CID 102279336) is (2,5-dibutyl-1-chloro-4-ethyl-1-methylsilol-3-yl)-diethylborane.
What is the SMILES notation for (2,5-dibutyl-1-chloro-4-ethyl-1-methylsilol-3-yl)-diethylborane?
The canonical SMILES for (2,5-dibutyl-1-chloro-4-ethyl-1-methylsilol-3-yl)-diethylborane is CCCCC1=C(CC)C(B(CC)CC)=C(CCCC)[Si]1(C)Cl.
What is the InChIKey of (2,5-dibutyl-1-chloro-4-ethyl-1-methylsilol-3-yl)-diethylborane?
The InChIKey is ADULJNDJRYWZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36BClSi/c1-7-12-14-17-16(9-3)19(20(10-4)11-5)18(15-13-8-2)22(17,6)21/h7-15H2,1-6H3.
What are the key properties of (2,5-dibutyl-1-chloro-4-ethyl-1-methylsilol-3-yl)-diethylborane?
(2,5-dibutyl-1-chloro-4-ethyl-1-methylsilol-3-yl)-diethylborane has a molecular weight of 338.85 g/mol, XLogP of 7.35, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibutyl-1-chloro-4-ethyl-1-methylsilol-3-yl)-diethylborane is sourced from PubChem (CID 102279336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).