4,4,5,5-tetramethyl-2-[(4-methylcyclohexylidene)methyl]-1,3,2-dioxaborolane

C14H25BO2 — CID 164643643

IUPAC4,4,5,5-tetramethyl-2-[(4-methylcyclohexylidene)methyl]-1,3,2-dioxaborolane
SMILESCC1CCC(=CB2OC(C)(C)C(C)(C)O2)CC1
InChIInChI=1S/C14H25BO2/c1-11-6-8-12(9-7-11)10-15-16-13(2,3)14(4,5)17-15/h10-11H,6-9H2,1-5H3/b12-10-
InChIKeyGFKJFPVZVMFTOY-BENRWUELSA-N
MW236.16 g/mol
LogP3.75
Rot. Bonds1

About 4,4,5,5-tetramethyl-2-[(4-methylcyclohexylidene)methyl]-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-[(4-methylcyclohexylidene)methyl]-1,3,2-dioxaborolane (PubChem CID 164643643) has the molecular formula C14H25BO2 and a molecular weight of 236.16 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-[(4-methylcyclohexylidene)methyl]-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-[(4-methylcyclohexylidene)methyl]-1,3,2-dioxaborolane
PubChem CID164643643
Molecular FormulaC14H25BO2
Molecular Weight236.16 g/mol
Exact Mass236.19
IUPAC Name4,4,5,5-tetramethyl-2-[(4-methylcyclohexylidene)methyl]-1,3,2-dioxaborolane
SMILESCC1CCC(=CB2OC(C)(C)C(C)(C)O2)CC1
InChIInChI=1S/C14H25BO2/c1-11-6-8-12(9-7-11)10-15-16-13(2,3)14(4,5)17-15/h10-11H,6-9H2,1-5H3/b12-10-
InChIKeyGFKJFPVZVMFTOY-BENRWUELSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-[(4-methylcyclohexylidene)methyl]-1,3,2-dioxaborolane?
The IUPAC name of 4,4,5,5-tetramethyl-2-[(4-methylcyclohexylidene)methyl]-1,3,2-dioxaborolane (CID 164643643) is 4,4,5,5-tetramethyl-2-[(4-methylcyclohexylidene)methyl]-1,3,2-dioxaborolane.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-[(4-methylcyclohexylidene)methyl]-1,3,2-dioxaborolane?
The canonical SMILES for 4,4,5,5-tetramethyl-2-[(4-methylcyclohexylidene)methyl]-1,3,2-dioxaborolane is CC1CCC(=CB2OC(C)(C)C(C)(C)O2)CC1.
What is the InChIKey of 4,4,5,5-tetramethyl-2-[(4-methylcyclohexylidene)methyl]-1,3,2-dioxaborolane?
The InChIKey is GFKJFPVZVMFTOY-BENRWUELSA-N. The full InChI is InChI=1S/C14H25BO2/c1-11-6-8-12(9-7-11)10-15-16-13(2,3)14(4,5)17-15/h10-11H,6-9H2,1-5H3/b12-10-.
What are the key properties of 4,4,5,5-tetramethyl-2-[(4-methylcyclohexylidene)methyl]-1,3,2-dioxaborolane?
4,4,5,5-tetramethyl-2-[(4-methylcyclohexylidene)methyl]-1,3,2-dioxaborolane has a molecular weight of 236.16 g/mol, XLogP of 3.75, 1 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-[(4-methylcyclohexylidene)methyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 164643643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).