2-[4-(4,4-dimethylcyclohexyl)cyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C20H35BO2 — CID 140748246

IUPAC2-[4-(4,4-dimethylcyclohexyl)cyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)CCC(C2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)CC1
InChIInChI=1S/C20H35BO2/c1-18(2)13-11-16(12-14-18)15-7-9-17(10-8-15)21-22-19(3,4)20(5,6)23-21/h9,15-16H,7-8,10-14H2,1-6H3
InChIKeyIJZBDIXDCWZKEJ-UHFFFAOYSA-N
MW318.31 g/mol
LogP5.56
Rot. Bonds2

About 2-[4-(4,4-dimethylcyclohexyl)cyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[4-(4,4-dimethylcyclohexyl)cyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 140748246) has the molecular formula C20H35BO2 and a molecular weight of 318.31 g/mol. Its IUPAC name is 2-[4-(4,4-dimethylcyclohexyl)cyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[4-(4,4-dimethylcyclohexyl)cyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID140748246
Molecular FormulaC20H35BO2
Molecular Weight318.31 g/mol
Exact Mass318.27
IUPAC Name2-[4-(4,4-dimethylcyclohexyl)cyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)CCC(C2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)CC1
InChIInChI=1S/C20H35BO2/c1-18(2)13-11-16(12-14-18)15-7-9-17(10-8-15)21-22-19(3,4)20(5,6)23-21/h9,15-16H,7-8,10-14H2,1-6H3
InChIKeyIJZBDIXDCWZKEJ-UHFFFAOYSA-N
XLogP5.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.31
LogP ≤ 55.56
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-[4-(4,4-dimethylcyclohexyl)cyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[4-(4,4-dimethylcyclohexyl)cyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 140748246) is 2-[4-(4,4-dimethylcyclohexyl)cyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[4-(4,4-dimethylcyclohexyl)cyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[4-(4,4-dimethylcyclohexyl)cyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)CCC(C2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)CC1.
What is the InChIKey of 2-[4-(4,4-dimethylcyclohexyl)cyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is IJZBDIXDCWZKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35BO2/c1-18(2)13-11-16(12-14-18)15-7-9-17(10-8-15)21-22-19(3,4)20(5,6)23-21/h9,15-16H,7-8,10-14H2,1-6H3.
What are the key properties of 2-[4-(4,4-dimethylcyclohexyl)cyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[4-(4,4-dimethylcyclohexyl)cyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 318.31 g/mol, XLogP of 5.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,4-dimethylcyclohexyl)cyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 140748246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).