2-[(E)-3-cyclohexylbut-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C16H29BO2 — CID 102523471

IUPAC2-[(E)-3-cyclohexylbut-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC/C(=C\CB1OC(C)(C)C(C)(C)O1)C1CCCCC1
InChIInChI=1S/C16H29BO2/c1-13(14-9-7-6-8-10-14)11-12-17-18-15(2,3)16(4,5)19-17/h11,14H,6-10,12H2,1-5H3/b13-11+
InChIKeyCINPMODCNCAVRJ-ACCUITESSA-N
MW264.22 g/mol
LogP4.61
Rot. Bonds3

About 2-[(E)-3-cyclohexylbut-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[(E)-3-cyclohexylbut-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 102523471) has the molecular formula C16H29BO2 and a molecular weight of 264.22 g/mol. Its IUPAC name is 2-[(E)-3-cyclohexylbut-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(E)-3-cyclohexylbut-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID102523471
Molecular FormulaC16H29BO2
Molecular Weight264.22 g/mol
Exact Mass264.23
IUPAC Name2-[(E)-3-cyclohexylbut-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC/C(=C\CB1OC(C)(C)C(C)(C)O1)C1CCCCC1
InChIInChI=1S/C16H29BO2/c1-13(14-9-7-6-8-10-14)11-12-17-18-15(2,3)16(4,5)19-17/h11,14H,6-10,12H2,1-5H3/b13-11+
InChIKeyCINPMODCNCAVRJ-ACCUITESSA-N
XLogP4.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.22
LogP ≤ 54.61
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-(4-methylcyclohex-1-en-1-yl)-1,3,2-dioxaborolane
CID 58924635
2-(4-tert-Butylcyclohex-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 15486605
4,4,5,5-Tetramethyl-2-[4-(propan-2-yl)cyclohex-1-en-1-yl]-1,3,2-dioxaborolane
CID 74788596
4,4,5,5-Tetramethyl-2-[(2-methylcyclohexylidene)methyl]-1,3,2-dioxaborolane
CID 145874424
4,4,5,5-Tetramethyl-2-[(4-methylcyclohexylidene)methyl]-1,3,2-dioxaborolane
CID 164643643
2-[(1Z)-cyclododecen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 71463717
2-[2-(Cyclohex-3-en-1-yl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 90319037
2-((1E)-2-Cyclohexyl-1-propen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 138979210
2-[4-(Fluoromethyl)cyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 123316535
1-Methyl-4-(trifluoromethyl)cyclohexene;4,4,5,5-tetramethyl-2-[4-(trifluoromethyl)cyclohexen-1-yl]-1,3,2-dioxaborolane
CID 157980104

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-cyclohexylbut-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[(E)-3-cyclohexylbut-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 102523471) is 2-[(E)-3-cyclohexylbut-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(E)-3-cyclohexylbut-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(E)-3-cyclohexylbut-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is C/C(=C\CB1OC(C)(C)C(C)(C)O1)C1CCCCC1.
What is the InChIKey of 2-[(E)-3-cyclohexylbut-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is CINPMODCNCAVRJ-ACCUITESSA-N. The full InChI is InChI=1S/C16H29BO2/c1-13(14-9-7-6-8-10-14)11-12-17-18-15(2,3)16(4,5)19-17/h11,14H,6-10,12H2,1-5H3/b13-11+.
What are the key properties of 2-[(E)-3-cyclohexylbut-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[(E)-3-cyclohexylbut-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 264.22 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-cyclohexylbut-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 102523471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).