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

C15H27BO2 — CID 74788596

IUPAC4,4,5,5-tetramethyl-2-(4-propan-2-ylcyclohexen-1-yl)-1,3,2-dioxaborolane
SMILESCC(C)C1CC=C(B2OC(C)(C)C(C)(C)O2)CC1
InChIInChI=1S/C15H27BO2/c1-11(2)12-7-9-13(10-8-12)16-17-14(3,4)15(5,6)18-16/h9,11-12H,7-8,10H2,1-6H3
InChIKeyACYGRPVWJQOCHH-UHFFFAOYSA-N
MW250.19 g/mol
LogP4.00
Rot. Bonds2

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

4,4,5,5-tetramethyl-2-(4-propan-2-ylcyclohexen-1-yl)-1,3,2-dioxaborolane (PubChem CID 74788596) 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-propan-2-ylcyclohexen-1-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-(4-propan-2-ylcyclohexen-1-yl)-1,3,2-dioxaborolane
PubChem CID74788596
Molecular FormulaC15H27BO2
Molecular Weight250.19 g/mol
Exact Mass250.21
IUPAC Name4,4,5,5-tetramethyl-2-(4-propan-2-ylcyclohexen-1-yl)-1,3,2-dioxaborolane
SMILESCC(C)C1CC=C(B2OC(C)(C)C(C)(C)O2)CC1
InChIInChI=1S/C15H27BO2/c1-11(2)12-7-9-13(10-8-12)16-17-14(3,4)15(5,6)18-16/h9,11-12H,7-8,10H2,1-6H3
InChIKeyACYGRPVWJQOCHH-UHFFFAOYSA-N
XLogP4.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.19
LogP ≤ 54.00
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-propan-2-ylcyclohexen-1-yl)-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-(4-propan-2-ylcyclohexen-1-yl)-1,3,2-dioxaborolane (CID 74788596) is 4,4,5,5-tetramethyl-2-(4-propan-2-ylcyclohexen-1-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-(4-propan-2-ylcyclohexen-1-yl)-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-(4-propan-2-ylcyclohexen-1-yl)-1,3,2-dioxaborolane is CC(C)C1CC=C(B2OC(C)(C)C(C)(C)O2)CC1.
What is the InChIKey of 4,4,5,5-tetramethyl-2-(4-propan-2-ylcyclohexen-1-yl)-1,3,2-dioxaborolane?
The InChIKey is ACYGRPVWJQOCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27BO2/c1-11(2)12-7-9-13(10-8-12)16-17-14(3,4)15(5,6)18-16/h9,11-12H,7-8,10H2,1-6H3.
What are the key properties of 4,4,5,5-tetramethyl-2-(4-propan-2-ylcyclohexen-1-yl)-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-(4-propan-2-ylcyclohexen-1-yl)-1,3,2-dioxaborolane has a molecular weight of 250.19 g/mol, XLogP of 4.00, 2 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-propan-2-ylcyclohexen-1-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 74788596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).