4,4,5,5-tetramethyl-2-[(Z)-2-methyldodec-1-enyl]-1,3,2-dioxaborolane

C19H37BO2 — CID 100969381

IUPAC4,4,5,5-tetramethyl-2-[(Z)-2-methyldodec-1-enyl]-1,3,2-dioxaborolane
SMILESCCCCCCCCCC/C(C)=C\B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C19H37BO2/c1-7-8-9-10-11-12-13-14-15-17(2)16-20-21-18(3,4)19(5,6)22-20/h16H,7-15H2,1-6H3/b17-16-
InChIKeyQGUBKZBDXBSVLI-MSUUIHNZSA-N
MW308.31 g/mol
LogP6.09
Rot. Bonds10

About 4,4,5,5-tetramethyl-2-[(Z)-2-methyldodec-1-enyl]-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-[(Z)-2-methyldodec-1-enyl]-1,3,2-dioxaborolane (PubChem CID 100969381) has the molecular formula C19H37BO2 and a molecular weight of 308.31 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[(Z)-2-methyldodec-1-enyl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[(Z)-2-methyldodec-1-enyl]-1,3,2-dioxaborolane
PubChem CID100969381
Molecular FormulaC19H37BO2
Molecular Weight308.31 g/mol
Exact Mass308.29
IUPAC Name4,4,5,5-tetramethyl-2-[(Z)-2-methyldodec-1-enyl]-1,3,2-dioxaborolane
SMILESCCCCCCCCCC/C(C)=C\B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C19H37BO2/c1-7-8-9-10-11-12-13-14-15-17(2)16-20-21-18(3,4)19(5,6)22-20/h16H,7-15H2,1-6H3/b17-16-
InChIKeyQGUBKZBDXBSVLI-MSUUIHNZSA-N
XLogP6.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.31
LogP ≤ 56.09
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'}

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Related Compounds

chloro-dimethyl-[(Z)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dec-1-en-2-yl]silane
CID 135053340
(E)-3-methylnonadec-2-ene
CID 23160392
3-methyldec-2-ene
CID 550799
(E)-3-methyltridec-2-ene
CID 22000795
4,4,5,5-tetramethyl-2-non-1-enyl-1,3,2-dioxaborolane
CID 86013616
(6E,8E)-6,9-dimethyltetradeca-6,8-diene
CID 16741365
4-methylheptadec-3-ene
CID 59169426
2-methylhept-1-en-1-ol
CID 141483452
2-[(1E,3E,11Z)-icosa-1,3,11-trienyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 101160797
(E)-9-methylnonadec-9-ene
CID 14783585
6-methyldocos-6-ene
CID 629460
(E)-10-methylnonadec-9-ene
CID 5364653

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[(Z)-2-methyldodec-1-enyl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[(Z)-2-methyldodec-1-enyl]-1,3,2-dioxaborolane (CID 100969381) is 4,4,5,5-tetramethyl-2-[(Z)-2-methyldodec-1-enyl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[(Z)-2-methyldodec-1-enyl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[(Z)-2-methyldodec-1-enyl]-1,3,2-dioxaborolane is CCCCCCCCCC/C(C)=C\B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[(Z)-2-methyldodec-1-enyl]-1,3,2-dioxaborolane?
The InChIKey is QGUBKZBDXBSVLI-MSUUIHNZSA-N. The full InChI is InChI=1S/C19H37BO2/c1-7-8-9-10-11-12-13-14-15-17(2)16-20-21-18(3,4)19(5,6)22-20/h16H,7-15H2,1-6H3/b17-16-.
What are the key properties of 4,4,5,5-tetramethyl-2-[(Z)-2-methyldodec-1-enyl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[(Z)-2-methyldodec-1-enyl]-1,3,2-dioxaborolane has a molecular weight of 308.31 g/mol, XLogP of 6.09, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-[(Z)-2-methyldodec-1-enyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 100969381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).