4,4,5,5-tetramethyl-2-(4-propylcyclohexen-1-yl)-1,3,2-dioxaborolane

C15H27BO2 — CID 56737715

IUPAC4,4,5,5-tetramethyl-2-(4-propylcyclohexen-1-yl)-1,3,2-dioxaborolane
SMILESCCCC1CC=C(B2OC(C)(C)C(C)(C)O2)CC1
InChIInChI=1S/C15H27BO2/c1-6-7-12-8-10-13(11-9-12)16-17-14(2,3)15(4,5)18-16/h10,12H,6-9,11H2,1-5H3
InChIKeyAALBRBHEPBSUPZ-UHFFFAOYSA-N
MW250.19 g/mol
LogP4.14
Rot. Bonds3

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

4,4,5,5-tetramethyl-2-(4-propylcyclohexen-1-yl)-1,3,2-dioxaborolane (PubChem CID 56737715) has the molecular formula C15H27BO2 and a molecular weight of 250.19 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-(4-propylcyclohexen-1-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-(4-propylcyclohexen-1-yl)-1,3,2-dioxaborolane
PubChem CID56737715
Molecular FormulaC15H27BO2
Molecular Weight250.19 g/mol
Exact Mass250.21
IUPAC Name4,4,5,5-tetramethyl-2-(4-propylcyclohexen-1-yl)-1,3,2-dioxaborolane
SMILESCCCC1CC=C(B2OC(C)(C)C(C)(C)O2)CC1
InChIInChI=1S/C15H27BO2/c1-6-7-12-8-10-13(11-9-12)16-17-14(2,3)15(4,5)18-16/h10,12H,6-9,11H2,1-5H3
InChIKeyAALBRBHEPBSUPZ-UHFFFAOYSA-N
XLogP4.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.19
LogP ≤ 54.14
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 4,4,5,5-tetramethyl-2-(4-propylcyclohexen-1-yl)-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-(4-propylcyclohexen-1-yl)-1,3,2-dioxaborolane (CID 56737715) is 4,4,5,5-tetramethyl-2-(4-propylcyclohexen-1-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-(4-propylcyclohexen-1-yl)-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-(4-propylcyclohexen-1-yl)-1,3,2-dioxaborolane is CCCC1CC=C(B2OC(C)(C)C(C)(C)O2)CC1.
What is the InChIKey of 4,4,5,5-tetramethyl-2-(4-propylcyclohexen-1-yl)-1,3,2-dioxaborolane?
The InChIKey is AALBRBHEPBSUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27BO2/c1-6-7-12-8-10-13(11-9-12)16-17-14(2,3)15(4,5)18-16/h10,12H,6-9,11H2,1-5H3.
What are the key properties of 4,4,5,5-tetramethyl-2-(4-propylcyclohexen-1-yl)-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-(4-propylcyclohexen-1-yl)-1,3,2-dioxaborolane has a molecular weight of 250.19 g/mol, XLogP of 4.14, 3 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-(4-propylcyclohexen-1-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 56737715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).