2-(cyclododecylidenemethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C19H35BO2 — CID 154832112

IUPAC2-(cyclododecylidenemethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C=C2CCCCCCCCCCC2)OC1(C)C
InChIInChI=1S/C19H35BO2/c1-18(2)19(3,4)22-20(21-18)16-17-14-12-10-8-6-5-7-9-11-13-15-17/h16H,5-15H2,1-4H3
InChIKeyCGXLBBNPOBRFGP-UHFFFAOYSA-N
MW306.30 g/mol
LogP5.85
Rot. Bonds1

About 2-(cyclododecylidenemethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(cyclododecylidenemethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 154832112) has the molecular formula C19H35BO2 and a molecular weight of 306.30 g/mol. Its IUPAC name is 2-(cyclododecylidenemethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(cyclododecylidenemethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID154832112
Molecular FormulaC19H35BO2
Molecular Weight306.30 g/mol
Exact Mass306.27
IUPAC Name2-(cyclododecylidenemethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C=C2CCCCCCCCCCC2)OC1(C)C
InChIInChI=1S/C19H35BO2/c1-18(2)19(3,4)22-20(21-18)16-17-14-12-10-8-6-5-7-9-11-13-15-17/h16H,5-15H2,1-4H3
InChIKeyCGXLBBNPOBRFGP-UHFFFAOYSA-N
XLogP5.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.30
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclododecylidenemethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(cyclododecylidenemethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 154832112) is 2-(cyclododecylidenemethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(cyclododecylidenemethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(cyclododecylidenemethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(C=C2CCCCCCCCCCC2)OC1(C)C.
What is the InChIKey of 2-(cyclododecylidenemethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is CGXLBBNPOBRFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35BO2/c1-18(2)19(3,4)22-20(21-18)16-17-14-12-10-8-6-5-7-9-11-13-15-17/h16H,5-15H2,1-4H3.
What are the key properties of 2-(cyclododecylidenemethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(cyclododecylidenemethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 306.30 g/mol, XLogP of 5.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclododecylidenemethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 154832112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).