chloro-dimethyl-[(E)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-1-en-2-yl]silane

C14H28BClO2Si — CID 135008075

IUPACchloro-dimethyl-[(E)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-1-en-2-yl]silane
SMILESCCCC/C(=C\B1OC(C)(C)C(C)(C)O1)[Si](C)(C)Cl
InChIInChI=1S/C14H28BClO2Si/c1-8-9-10-12(19(6,7)16)11-15-17-13(2,3)14(4,5)18-15/h11H,8-10H2,1-7H3/b12-11+
InChIKeyQDFQIXZHTPJLIP-VAWYXSNFSA-N
MW302.73 g/mol
LogP4.72
Rot. Bonds5

About chloro-dimethyl-[(E)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-1-en-2-yl]silane

chloro-dimethyl-[(E)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-1-en-2-yl]silane (PubChem CID 135008075) has the molecular formula C14H28BClO2Si and a molecular weight of 302.73 g/mol. Its IUPAC name is chloro-dimethyl-[(E)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-1-en-2-yl]silane.

Molecular Properties

Compound Namechloro-dimethyl-[(E)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-1-en-2-yl]silane
PubChem CID135008075
Molecular FormulaC14H28BClO2Si
Molecular Weight302.73 g/mol
Exact Mass302.16
IUPAC Namechloro-dimethyl-[(E)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-1-en-2-yl]silane
SMILESCCCC/C(=C\B1OC(C)(C)C(C)(C)O1)[Si](C)(C)Cl
InChIInChI=1S/C14H28BClO2Si/c1-8-9-10-12(19(6,7)16)11-15-17-13(2,3)14(4,5)18-15/h11H,8-10H2,1-7H3/b12-11+
InChIKeyQDFQIXZHTPJLIP-VAWYXSNFSA-N
XLogP4.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.73
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloro-dimethyl-[(E)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-1-en-2-yl]silane?
The IUPAC name of chloro-dimethyl-[(E)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-1-en-2-yl]silane (CID 135008075) is chloro-dimethyl-[(E)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-1-en-2-yl]silane.
What is the SMILES notation for chloro-dimethyl-[(E)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-1-en-2-yl]silane?
The canonical SMILES for chloro-dimethyl-[(E)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-1-en-2-yl]silane is CCCC/C(=C\B1OC(C)(C)C(C)(C)O1)[Si](C)(C)Cl.
What is the InChIKey of chloro-dimethyl-[(E)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-1-en-2-yl]silane?
The InChIKey is QDFQIXZHTPJLIP-VAWYXSNFSA-N. The full InChI is InChI=1S/C14H28BClO2Si/c1-8-9-10-12(19(6,7)16)11-15-17-13(2,3)14(4,5)18-15/h11H,8-10H2,1-7H3/b12-11+.
What are the key properties of chloro-dimethyl-[(E)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-1-en-2-yl]silane?
chloro-dimethyl-[(E)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-1-en-2-yl]silane has a molecular weight of 302.73 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-dimethyl-[(E)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hex-1-en-2-yl]silane is sourced from PubChem (CID 135008075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).