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

C18H36BClO2Si — CID 135053340

IUPACchloro-dimethyl-[(Z)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-1-en-2-yl]silane
SMILESCCCCCCCC/C(=C/B1OC(C)(C)C(C)(C)O1)[Si](C)(C)Cl
InChIInChI=1S/C18H36BClO2Si/c1-8-9-10-11-12-13-14-16(23(6,7)20)15-19-21-17(2,3)18(4,5)22-19/h15H,8-14H2,1-7H3/b16-15-
InChIKeyPYZYWGYCTIADCE-NXVVXOECSA-N
MW358.84 g/mol
LogP6.28
Rot. Bonds9

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

chloro-dimethyl-[(Z)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-1-en-2-yl]silane (PubChem CID 135053340) has the molecular formula C18H36BClO2Si and a molecular weight of 358.84 g/mol. Its IUPAC name is chloro-dimethyl-[(Z)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-1-en-2-yl]silane.

Molecular Properties

Compound Namechloro-dimethyl-[(Z)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-1-en-2-yl]silane
PubChem CID135053340
Molecular FormulaC18H36BClO2Si
Molecular Weight358.84 g/mol
Exact Mass358.23
IUPAC Namechloro-dimethyl-[(Z)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-1-en-2-yl]silane
SMILESCCCCCCCC/C(=C/B1OC(C)(C)C(C)(C)O1)[Si](C)(C)Cl
InChIInChI=1S/C18H36BClO2Si/c1-8-9-10-11-12-13-14-16(23(6,7)20)15-19-21-17(2,3)18(4,5)22-19/h15H,8-14H2,1-7H3/b16-15-
InChIKeyPYZYWGYCTIADCE-NXVVXOECSA-N
XLogP6.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.84
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,4,5,5-tetramethyl-2-[(Z)-2-methyldodec-1-enyl]-1,3,2-dioxaborolane
CID 100969381
4,4,5,5-tetramethyl-2-non-1-enyl-1,3,2-dioxaborolane
CID 86013616
2-[(1E,3E,11Z)-icosa-1,3,11-trienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 101160797
2-[(E)-2-butoxyethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 90226053
[(E,3E)-2-hexyl-3-(trimethylsilylmethylidene)non-1-enyl]-trimethylsilane
CID 14364581
[(E)-1-bromonon-2-en-3-yl]-trimethylsilane
CID 13168376
6-ethylidenehexadecane
CID 169207706
1-[heptanoyl(dimethyl)silyl]heptan-1-one
CID 154188501
[(E)-dodec-6-en-6-yl]-trimethylsilane
CID 15938239
2-[(Z)-1-bromo-5-methylideneundec-3-en-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 134979397
7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hept-6-enoic acid
CID 174052207
(E)-3-methylnonadec-2-ene
CID 23160392

Frequently Asked Questions

What is the IUPAC name of chloro-dimethyl-[(Z)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-1-en-2-yl]silane?
The IUPAC name of chloro-dimethyl-[(Z)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-1-en-2-yl]silane (CID 135053340) is chloro-dimethyl-[(Z)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-1-en-2-yl]silane.
What is the SMILES notation for chloro-dimethyl-[(Z)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-1-en-2-yl]silane?
The canonical SMILES for chloro-dimethyl-[(Z)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-1-en-2-yl]silane is CCCCCCCC/C(=C/B1OC(C)(C)C(C)(C)O1)[Si](C)(C)Cl.
What is the InChIKey of chloro-dimethyl-[(Z)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-1-en-2-yl]silane?
The InChIKey is PYZYWGYCTIADCE-NXVVXOECSA-N. The full InChI is InChI=1S/C18H36BClO2Si/c1-8-9-10-11-12-13-14-16(23(6,7)20)15-19-21-17(2,3)18(4,5)22-19/h15H,8-14H2,1-7H3/b16-15-.
What are the key properties of chloro-dimethyl-[(Z)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-1-en-2-yl]silane?
chloro-dimethyl-[(Z)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-1-en-2-yl]silane has a molecular weight of 358.84 g/mol, XLogP of 6.28, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-dimethyl-[(Z)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-1-en-2-yl]silane is sourced from PubChem (CID 135053340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).