2-[(Z)-2-cyclohexylprop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C15H27BO2 — CID 102483612

IUPAC2-[(Z)-2-cyclohexylprop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC/C(=C/B1OC(C)(C)C(C)(C)O1)C1CCCCC1
InChIInChI=1S/C15H27BO2/c1-12(13-9-7-6-8-10-13)11-16-17-14(2,3)15(4,5)18-16/h11,13H,6-10H2,1-5H3/b12-11-
InChIKeyMGPTYGBGTJHTFD-QXMHVHEDSA-N
MW250.19 g/mol
LogP4.14
Rot. Bonds2

About 2-[(Z)-2-cyclohexylprop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[(Z)-2-cyclohexylprop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 102483612) has the molecular formula C15H27BO2 and a molecular weight of 250.19 g/mol. Its IUPAC name is 2-[(Z)-2-cyclohexylprop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(Z)-2-cyclohexylprop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID102483612
Molecular FormulaC15H27BO2
Molecular Weight250.19 g/mol
Exact Mass250.21
IUPAC Name2-[(Z)-2-cyclohexylprop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC/C(=C/B1OC(C)(C)C(C)(C)O1)C1CCCCC1
InChIInChI=1S/C15H27BO2/c1-12(13-9-7-6-8-10-13)11-16-17-14(2,3)15(4,5)18-16/h11,13H,6-10H2,1-5H3/b12-11-
InChIKeyMGPTYGBGTJHTFD-QXMHVHEDSA-N
XLogP4.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.19
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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
2-(Cyclohexylidenemethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 12569888
4,4,5,5-Tetramethyl-2-[(2-methylcyclohexylidene)methyl]-1,3,2-dioxaborolane
CID 145874424
2-[(2,2-Dimethylcyclohexylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 145874631
4,4,5,5-Tetramethyl-2-({spiro[2.5]octan-6-ylidene}methyl)-1,3,2-dioxaborolane
CID 155982298
4,4,5,5-Tetramethyl-2-[(4-methylcyclohexylidene)methyl]-1,3,2-dioxaborolane
CID 164643643
4,4,5,5-Tetramethyl-2-[(3-methylcyclopentylidene)methyl]-1,3,2-dioxaborolane
CID 165456335
2-{[(1z)-3,3-Dimethylcyclohexylidene]methyl}-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 168447877
2-[(1R)-1-cyclohexyl-3,3-difluoroprop-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 177469361
2-[1-Cyclohexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 73095807
2-((1E)-2-Cyclohexyl-1-propen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 138979210

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-cyclohexylprop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[(Z)-2-cyclohexylprop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 102483612) is 2-[(Z)-2-cyclohexylprop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(Z)-2-cyclohexylprop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(Z)-2-cyclohexylprop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is C/C(=C/B1OC(C)(C)C(C)(C)O1)C1CCCCC1.
What is the InChIKey of 2-[(Z)-2-cyclohexylprop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is MGPTYGBGTJHTFD-QXMHVHEDSA-N. The full InChI is InChI=1S/C15H27BO2/c1-12(13-9-7-6-8-10-13)11-16-17-14(2,3)15(4,5)18-16/h11,13H,6-10H2,1-5H3/b12-11-.
What are the key properties of 2-[(Z)-2-cyclohexylprop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[(Z)-2-cyclohexylprop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 250.19 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-cyclohexylprop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 102483612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).