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

C20H33BO2 — CID 142317432

IUPAC2-[4-(4-ethylcyclohexylidene)cyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCC1CCC(=C2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)CC1
InChIInChI=1S/C20H33BO2/c1-6-15-7-9-16(10-8-15)17-11-13-18(14-12-17)21-22-19(2,3)20(4,5)23-21/h13,15H,6-12,14H2,1-5H3/b17-16-
InChIKeyFZYVSCOUZPZNDR-MSUUIHNZSA-N
MW316.29 g/mol
LogP5.62
Rot. Bonds2

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

2-[4-(4-ethylcyclohexylidene)cyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 142317432) has the molecular formula C20H33BO2 and a molecular weight of 316.29 g/mol. Its IUPAC name is 2-[4-(4-ethylcyclohexylidene)cyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[4-(4-ethylcyclohexylidene)cyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID142317432
Molecular FormulaC20H33BO2
Molecular Weight316.29 g/mol
Exact Mass316.26
IUPAC Name2-[4-(4-ethylcyclohexylidene)cyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCCC1CCC(=C2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)CC1
InChIInChI=1S/C20H33BO2/c1-6-15-7-9-16(10-8-15)17-11-13-18(14-12-17)21-22-19(2,3)20(4,5)23-21/h13,15H,6-12,14H2,1-5H3/b17-16-
InChIKeyFZYVSCOUZPZNDR-MSUUIHNZSA-N
XLogP5.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.29
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4,4,5,5-Tetramethyl-2-(4-methylcyclohex-1-en-1-yl)-1,3,2-dioxaborolane
CID 58924635
4,4,5,5-Tetramethyl-2-[4-(propan-2-yl)cyclohex-1-en-1-yl]-1,3,2-dioxaborolane
CID 74788596
2-[(1Z)-cyclododecen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 71463717
2-((1E)-2-Cyclohexyl-1-propen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 138979210
1-Methyl-4-(trifluoromethyl)cyclohexene;4,4,5,5-tetramethyl-2-[4-(trifluoromethyl)cyclohexen-1-yl]-1,3,2-dioxaborolane
CID 157980104
2-[(Z)-1-cyclohexyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 11749204
2-[(Z)-1-cyclohexylprop-1-en-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 87418507
2-((6E,10E)-9-cyclopropyl-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 101043901
2-[(E)-3-cyclohexylprop-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 102346248
2-[(Z)-2-cyclohexylprop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 102483612
2-[(Z)-3-cyclohexylprop-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 102493049
2-[(E)-3-cyclohexylbut-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 102523471

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethylcyclohexylidene)cyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[4-(4-ethylcyclohexylidene)cyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 142317432) is 2-[4-(4-ethylcyclohexylidene)cyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[4-(4-ethylcyclohexylidene)cyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[4-(4-ethylcyclohexylidene)cyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CCC1CCC(=C2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)CC1.
What is the InChIKey of 2-[4-(4-ethylcyclohexylidene)cyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is FZYVSCOUZPZNDR-MSUUIHNZSA-N. The full InChI is InChI=1S/C20H33BO2/c1-6-15-7-9-16(10-8-15)17-11-13-18(14-12-17)21-22-19(2,3)20(4,5)23-21/h13,15H,6-12,14H2,1-5H3/b17-16-.
What are the key properties of 2-[4-(4-ethylcyclohexylidene)cyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[4-(4-ethylcyclohexylidene)cyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 316.29 g/mol, XLogP of 5.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethylcyclohexylidene)cyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 142317432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).