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

C18H31BO2 — CID 131567973

IUPAC2-(4-cyclohexylcyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2=CCC(C3CCCCC3)CC2)OC1(C)C
InChIInChI=1S/C18H31BO2/c1-17(2)18(3,4)21-19(20-17)16-12-10-15(11-13-16)14-8-6-5-7-9-14/h12,14-15H,5-11,13H2,1-4H3
InChIKeyWOECCQLHIZBADU-UHFFFAOYSA-N
MW290.26 g/mol
LogP4.92
Rot. Bonds2

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

2-(4-cyclohexylcyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 131567973) has the molecular formula C18H31BO2 and a molecular weight of 290.26 g/mol. Its IUPAC name is 2-(4-cyclohexylcyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(4-cyclohexylcyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID131567973
Molecular FormulaC18H31BO2
Molecular Weight290.26 g/mol
Exact Mass290.24
IUPAC Name2-(4-cyclohexylcyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(C2=CCC(C3CCCCC3)CC2)OC1(C)C
InChIInChI=1S/C18H31BO2/c1-17(2)18(3,4)21-19(20-17)16-12-10-15(11-13-16)14-8-6-5-7-9-14/h12,14-15H,5-11,13H2,1-4H3
InChIKeyWOECCQLHIZBADU-UHFFFAOYSA-N
XLogP4.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.26
LogP ≤ 54.92
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-cyclohexylcyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(4-cyclohexylcyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 131567973) is 2-(4-cyclohexylcyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(4-cyclohexylcyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(4-cyclohexylcyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(C2=CCC(C3CCCCC3)CC2)OC1(C)C.
What is the InChIKey of 2-(4-cyclohexylcyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is WOECCQLHIZBADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31BO2/c1-17(2)18(3,4)21-19(20-17)16-12-10-15(11-13-16)14-8-6-5-7-9-14/h12,14-15H,5-11,13H2,1-4H3.
What are the key properties of 2-(4-cyclohexylcyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(4-cyclohexylcyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 290.26 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylcyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 131567973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).