2-(cyclohexen-1-yl)-4,4,5,5-tetraethyl-1,3,2-dioxaborolane

C16H29BO2 — CID 21258101

IUPAC2-(cyclohexen-1-yl)-4,4,5,5-tetraethyl-1,3,2-dioxaborolane
SMILESCCC1(CC)OB(C2=CCCCC2)OC1(CC)CC
InChIInChI=1S/C16H29BO2/c1-5-15(6-2)16(7-3,8-4)19-17(18-15)14-12-10-9-11-13-14/h12H,5-11,13H2,1-4H3
InChIKeyMFXGNGQCWIFQDB-UHFFFAOYSA-N
MW264.22 g/mol
LogP4.68
Rot. Bonds5

About 2-(cyclohexen-1-yl)-4,4,5,5-tetraethyl-1,3,2-dioxaborolane

2-(cyclohexen-1-yl)-4,4,5,5-tetraethyl-1,3,2-dioxaborolane (PubChem CID 21258101) has the molecular formula C16H29BO2 and a molecular weight of 264.22 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-4,4,5,5-tetraethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-4,4,5,5-tetraethyl-1,3,2-dioxaborolane
PubChem CID21258101
Molecular FormulaC16H29BO2
Molecular Weight264.22 g/mol
Exact Mass264.23
IUPAC Name2-(cyclohexen-1-yl)-4,4,5,5-tetraethyl-1,3,2-dioxaborolane
SMILESCCC1(CC)OB(C2=CCCCC2)OC1(CC)CC
InChIInChI=1S/C16H29BO2/c1-5-15(6-2)16(7-3,8-4)19-17(18-15)14-12-10-9-11-13-14/h12H,5-11,13H2,1-4H3
InChIKeyMFXGNGQCWIFQDB-UHFFFAOYSA-N
XLogP4.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.22
LogP ≤ 54.68
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-(cyclohexen-1-yl)-4,4,5,5-tetraethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(cyclohexen-1-yl)-4,4,5,5-tetraethyl-1,3,2-dioxaborolane (CID 21258101) is 2-(cyclohexen-1-yl)-4,4,5,5-tetraethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(cyclohexen-1-yl)-4,4,5,5-tetraethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(cyclohexen-1-yl)-4,4,5,5-tetraethyl-1,3,2-dioxaborolane is CCC1(CC)OB(C2=CCCCC2)OC1(CC)CC.
What is the InChIKey of 2-(cyclohexen-1-yl)-4,4,5,5-tetraethyl-1,3,2-dioxaborolane?
The InChIKey is MFXGNGQCWIFQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29BO2/c1-5-15(6-2)16(7-3,8-4)19-17(18-15)14-12-10-9-11-13-14/h12H,5-11,13H2,1-4H3.
What are the key properties of 2-(cyclohexen-1-yl)-4,4,5,5-tetraethyl-1,3,2-dioxaborolane?
2-(cyclohexen-1-yl)-4,4,5,5-tetraethyl-1,3,2-dioxaborolane has a molecular weight of 264.22 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-4,4,5,5-tetraethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 21258101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).