2-(3,4-dimethylcyclohex-3-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C14H25BO2 — CID 102261791

IUPAC2-(3,4-dimethylcyclohex-3-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1=C(C)CC(B2OC(C)(C)C(C)(C)O2)CC1
InChIInChI=1S/C14H25BO2/c1-10-7-8-12(9-11(10)2)15-16-13(3,4)14(5,6)17-15/h12H,7-9H2,1-6H3
InChIKeySXCCFSQMWHSIMR-UHFFFAOYSA-N
MW236.16 g/mol
LogP3.97
Rot. Bonds1

About 2-(3,4-dimethylcyclohex-3-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(3,4-dimethylcyclohex-3-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 102261791) has the molecular formula C14H25BO2 and a molecular weight of 236.16 g/mol. Its IUPAC name is 2-(3,4-dimethylcyclohex-3-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(3,4-dimethylcyclohex-3-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID102261791
Molecular FormulaC14H25BO2
Molecular Weight236.16 g/mol
Exact Mass236.19
IUPAC Name2-(3,4-dimethylcyclohex-3-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1=C(C)CC(B2OC(C)(C)C(C)(C)O2)CC1
InChIInChI=1S/C14H25BO2/c1-10-7-8-12(9-11(10)2)15-16-13(3,4)14(5,6)17-15/h12H,7-9H2,1-6H3
InChIKeySXCCFSQMWHSIMR-UHFFFAOYSA-N
XLogP3.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.16
LogP ≤ 53.97
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'}

Analyze 2-(3,4-dimethylcyclohex-3-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane with MolForge

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Related Compounds

4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexan-1-ol
CID 115035375
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine;hydrochloride
CID 53216775
2-(2-cyclopropylidenecyclopropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 11275753
4,4,5,5-tetramethyl-2-[(1S,2R)-2-methylcyclopentyl]-1,3,2-dioxaborolane
CID 101198944
3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4,5-dihydro-1,2-oxazole
CID 15264672
2-cyclopropyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;difluoromethylbenzene
CID 157033634
4,4,5,5-tetramethyl-2-[3-(trifluoromethyl)cyclobutyl]-1,3,2-dioxaborolane
CID 135392987
4-iodo-1,2-dimethylcyclohexene
CID 86142441
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclobutane-1-carboxylic acid
CID 169150951
2-(4-cyclopropyl-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 66521522
3,4-dimethylcyclohex-3-en-1-amine;ethane
CID 177140946
1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolidine
CID 168837814

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylcyclohex-3-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(3,4-dimethylcyclohex-3-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 102261791) is 2-(3,4-dimethylcyclohex-3-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(3,4-dimethylcyclohex-3-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(3,4-dimethylcyclohex-3-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1=C(C)CC(B2OC(C)(C)C(C)(C)O2)CC1.
What is the InChIKey of 2-(3,4-dimethylcyclohex-3-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is SXCCFSQMWHSIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25BO2/c1-10-7-8-12(9-11(10)2)15-16-13(3,4)14(5,6)17-15/h12H,7-9H2,1-6H3.
What are the key properties of 2-(3,4-dimethylcyclohex-3-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(3,4-dimethylcyclohex-3-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 236.16 g/mol, XLogP of 3.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylcyclohex-3-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 102261791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).