2-(1-cyclohexyl-3-ethenylcyclobutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C18H31BO2 — CID 134821151

IUPAC2-(1-cyclohexyl-3-ethenylcyclobutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC=CC1CC(B2OC(C)(C)C(C)(C)O2)(C2CCCCC2)C1
InChIInChI=1S/C18H31BO2/c1-6-14-12-18(13-14,15-10-8-7-9-11-15)19-20-16(2,3)17(4,5)21-19/h6,14-15H,1,7-13H2,2-5H3
InChIKeyACJRETHUOYJTMI-UHFFFAOYSA-N
MW290.26 g/mol
LogP5.00
Rot. Bonds3

About 2-(1-cyclohexyl-3-ethenylcyclobutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(1-cyclohexyl-3-ethenylcyclobutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 134821151) has the molecular formula C18H31BO2 and a molecular weight of 290.26 g/mol. Its IUPAC name is 2-(1-cyclohexyl-3-ethenylcyclobutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(1-cyclohexyl-3-ethenylcyclobutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID134821151
Molecular FormulaC18H31BO2
Molecular Weight290.26 g/mol
Exact Mass290.24
IUPAC Name2-(1-cyclohexyl-3-ethenylcyclobutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC=CC1CC(B2OC(C)(C)C(C)(C)O2)(C2CCCCC2)C1
InChIInChI=1S/C18H31BO2/c1-6-14-12-18(13-14,15-10-8-7-9-11-15)19-20-16(2,3)17(4,5)21-19/h6,14-15H,1,7-13H2,2-5H3
InChIKeyACJRETHUOYJTMI-UHFFFAOYSA-N
XLogP5.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.26
LogP ≤ 55.00
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

(E)-2-(2-cyclohexylvinyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 12066515
2-(1-Cyclohexylethenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 10966489
4,4,5,5-tetramethyl-2-[(E,3S)-3-methyloct-1-enyl]-1,3,2-dioxaborolane
CID 102273788
2-((1E)-2-Cyclohexyl-1-propen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 138979210
2-[(Z)-2-cyclohexylethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 57416206
2-[(Z)-2-cyclohexylprop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 102483612
2-((1s,3s)-3-(Cyclohex-1-en-1-yl)-1-cyclohexylcyclobutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 134821180
4,4,5,5-Tetramethyl-2-[1-(spiro[3.5]nonan-2-yl)vinyl]-1,3,2-dioxaborolane
CID 138981013
2-[(2Z,5R)-5-cyclohexyl-5-methylhepta-2,6-dien-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 146168145
2-((1-Allylcyclohexyl)methyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 162407516
2-(3-(Hex-5-en-1-yl)bicyclo[1.1.1]pentan-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 164510855
2-[(4-Tert-butylcyclohexylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 164643528

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexyl-3-ethenylcyclobutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(1-cyclohexyl-3-ethenylcyclobutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 134821151) is 2-(1-cyclohexyl-3-ethenylcyclobutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(1-cyclohexyl-3-ethenylcyclobutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(1-cyclohexyl-3-ethenylcyclobutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is C=CC1CC(B2OC(C)(C)C(C)(C)O2)(C2CCCCC2)C1.
What is the InChIKey of 2-(1-cyclohexyl-3-ethenylcyclobutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is ACJRETHUOYJTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31BO2/c1-6-14-12-18(13-14,15-10-8-7-9-11-15)19-20-16(2,3)17(4,5)21-19/h6,14-15H,1,7-13H2,2-5H3.
What are the key properties of 2-(1-cyclohexyl-3-ethenylcyclobutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(1-cyclohexyl-3-ethenylcyclobutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 290.26 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexyl-3-ethenylcyclobutyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 134821151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).