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

C17H33BO2 — CID 102205713

IUPAC4,4,5,5-tetramethyl-2-[(Z)-undec-2-enyl]-1,3,2-dioxaborolane
SMILESCCCCCCCC/C=C\CB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C17H33BO2/c1-6-7-8-9-10-11-12-13-14-15-18-19-16(2,3)17(4,5)20-18/h13-14H,6-12,15H2,1-5H3/b14-13-
InChIKeyYWINXMFHHDPSQW-YPKPFQOOSA-N
MW280.26 g/mol
LogP5.39
Rot. Bonds9

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

4,4,5,5-tetramethyl-2-[(Z)-undec-2-enyl]-1,3,2-dioxaborolane (PubChem CID 102205713) has the molecular formula C17H33BO2 and a molecular weight of 280.26 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[(Z)-undec-2-enyl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[(Z)-undec-2-enyl]-1,3,2-dioxaborolane
PubChem CID102205713
Molecular FormulaC17H33BO2
Molecular Weight280.26 g/mol
Exact Mass280.26
IUPAC Name4,4,5,5-tetramethyl-2-[(Z)-undec-2-enyl]-1,3,2-dioxaborolane
SMILESCCCCCCCC/C=C\CB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C17H33BO2/c1-6-7-8-9-10-11-12-13-14-15-18-19-16(2,3)17(4,5)20-18/h13-14H,6-12,15H2,1-5H3/b14-13-
InChIKeyYWINXMFHHDPSQW-YPKPFQOOSA-N
XLogP5.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.26
LogP ≤ 55.39
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[(Z)-undec-2-enyl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[(Z)-undec-2-enyl]-1,3,2-dioxaborolane (CID 102205713) is 4,4,5,5-tetramethyl-2-[(Z)-undec-2-enyl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[(Z)-undec-2-enyl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[(Z)-undec-2-enyl]-1,3,2-dioxaborolane is CCCCCCCC/C=C\CB1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[(Z)-undec-2-enyl]-1,3,2-dioxaborolane?
The InChIKey is YWINXMFHHDPSQW-YPKPFQOOSA-N. The full InChI is InChI=1S/C17H33BO2/c1-6-7-8-9-10-11-12-13-14-15-18-19-16(2,3)17(4,5)20-18/h13-14H,6-12,15H2,1-5H3/b14-13-.
What are the key properties of 4,4,5,5-tetramethyl-2-[(Z)-undec-2-enyl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[(Z)-undec-2-enyl]-1,3,2-dioxaborolane has a molecular weight of 280.26 g/mol, XLogP of 5.39, 9 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)-undec-2-enyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 102205713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).