4,4,5,5-tetramethyl-2-[(Z)-2-(1-methylcyclohexyl)ethenyl]-1,3,2-dioxaborolane

C15H27BO2 — CID 134903682

IUPAC4,4,5,5-tetramethyl-2-[(Z)-2-(1-methylcyclohexyl)ethenyl]-1,3,2-dioxaborolane
SMILESCC1(/C=C\B2OC(C)(C)C(C)(C)O2)CCCCC1
InChIInChI=1S/C15H27BO2/c1-13(2)14(3,4)18-16(17-13)12-11-15(5)9-7-6-8-10-15/h11-12H,6-10H2,1-5H3/b12-11-
InChIKeyCTYPOPSRGQFYAM-QXMHVHEDSA-N
MW250.19 g/mol
LogP4.14
Rot. Bonds2

About 4,4,5,5-tetramethyl-2-[(Z)-2-(1-methylcyclohexyl)ethenyl]-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-[(Z)-2-(1-methylcyclohexyl)ethenyl]-1,3,2-dioxaborolane (PubChem CID 134903682) has the molecular formula C15H27BO2 and a molecular weight of 250.19 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[(Z)-2-(1-methylcyclohexyl)ethenyl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[(Z)-2-(1-methylcyclohexyl)ethenyl]-1,3,2-dioxaborolane
PubChem CID134903682
Molecular FormulaC15H27BO2
Molecular Weight250.19 g/mol
Exact Mass250.21
IUPAC Name4,4,5,5-tetramethyl-2-[(Z)-2-(1-methylcyclohexyl)ethenyl]-1,3,2-dioxaborolane
SMILESCC1(/C=C\B2OC(C)(C)C(C)(C)O2)CCCCC1
InChIInChI=1S/C15H27BO2/c1-13(2)14(3,4)18-16(17-13)12-11-15(5)9-7-6-8-10-15/h11-12H,6-10H2,1-5H3/b12-11-
InChIKeyCTYPOPSRGQFYAM-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-[(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
2-{[(1z)-3,3-Dimethylcyclohexylidene]methyl}-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 168447877
2-[(Z)-2-cyclohexylethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 57416206
2-(2,2-Dipropylpent-4-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 122366992
2-((1-Allylcyclohexyl)methyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 162407516
2-((1-Allylcyclopentyl)methyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 162408889
2-(3-(But-3-en-1-yl)bicyclo[1.1.1]pentan-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 164510880
2-[(4-Tert-butylcyclohexylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 164643528
2-[1-Fluoro-2-[1-(trifluoromethyl)cyclohexyl]ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171109953
2-(3-Cyclohexyl-1-fluoro-3-methylbut-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171110457

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[(Z)-2-(1-methylcyclohexyl)ethenyl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[(Z)-2-(1-methylcyclohexyl)ethenyl]-1,3,2-dioxaborolane (CID 134903682) is 4,4,5,5-tetramethyl-2-[(Z)-2-(1-methylcyclohexyl)ethenyl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[(Z)-2-(1-methylcyclohexyl)ethenyl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[(Z)-2-(1-methylcyclohexyl)ethenyl]-1,3,2-dioxaborolane is CC1(/C=C\B2OC(C)(C)C(C)(C)O2)CCCCC1.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[(Z)-2-(1-methylcyclohexyl)ethenyl]-1,3,2-dioxaborolane?
The InChIKey is CTYPOPSRGQFYAM-QXMHVHEDSA-N. The full InChI is InChI=1S/C15H27BO2/c1-13(2)14(3,4)18-16(17-13)12-11-15(5)9-7-6-8-10-15/h11-12H,6-10H2,1-5H3/b12-11-.
What are the key properties of 4,4,5,5-tetramethyl-2-[(Z)-2-(1-methylcyclohexyl)ethenyl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[(Z)-2-(1-methylcyclohexyl)ethenyl]-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 4,4,5,5-tetramethyl-2-[(Z)-2-(1-methylcyclohexyl)ethenyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 134903682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).