2-decyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C16H33BO2 — CID 11265643

IUPAC2-decyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCCCCCCCCCB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C16H33BO2/c1-6-7-8-9-10-11-12-13-14-17-18-15(2,3)16(4,5)19-17/h6-14H2,1-5H3
InChIKeyHRMCLNRSAPIJDP-UHFFFAOYSA-N
MW268.25 g/mol
LogP5.22
Rot. Bonds9

About 2-decyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-decyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 11265643) has the molecular formula C16H33BO2 and a molecular weight of 268.25 g/mol. Its IUPAC name is 2-decyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-decyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID11265643
Molecular FormulaC16H33BO2
Molecular Weight268.25 g/mol
Exact Mass268.26
IUPAC Name2-decyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCCCCCCCCCB1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C16H33BO2/c1-6-7-8-9-10-11-12-13-14-17-18-15(2,3)16(4,5)19-17/h6-14H2,1-5H3
InChIKeyHRMCLNRSAPIJDP-UHFFFAOYSA-N
XLogP5.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.25
LogP ≤ 55.22
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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Frequently Asked Questions

What is the IUPAC name of 2-decyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-decyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 11265643) is 2-decyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-decyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-decyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CCCCCCCCCCB1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 2-decyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is HRMCLNRSAPIJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33BO2/c1-6-7-8-9-10-11-12-13-14-17-18-15(2,3)16(4,5)19-17/h6-14H2,1-5H3.
What are the key properties of 2-decyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-decyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 268.25 g/mol, XLogP of 5.22, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 11265643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).