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

C17H31BO2 — CID 164643528

IUPAC2-[(4-tert-butylcyclohexylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC(C)(C)C1CCC(=CB2OC(C)(C)C(C)(C)O2)CC1
InChIInChI=1S/C17H31BO2/c1-15(2,3)14-10-8-13(9-11-14)12-18-19-16(4,5)17(6,7)20-18/h12,14H,8-11H2,1-7H3/b13-12-
InChIKeyDRPMDLCZNXWNSQ-SEYXRHQNSA-N
MW278.25 g/mol
LogP4.78
Rot. Bonds1

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

2-[(4-tert-butylcyclohexylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 164643528) has the molecular formula C17H31BO2 and a molecular weight of 278.25 g/mol. Its IUPAC name is 2-[(4-tert-butylcyclohexylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(4-tert-butylcyclohexylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID164643528
Molecular FormulaC17H31BO2
Molecular Weight278.25 g/mol
Exact Mass278.24
IUPAC Name2-[(4-tert-butylcyclohexylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC(C)(C)C1CCC(=CB2OC(C)(C)C(C)(C)O2)CC1
InChIInChI=1S/C17H31BO2/c1-15(2,3)14-10-8-13(9-11-14)12-18-19-16(4,5)17(6,7)20-18/h12,14H,8-11H2,1-7H3/b13-12-
InChIKeyDRPMDLCZNXWNSQ-SEYXRHQNSA-N
XLogP4.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 54.78
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 2-[(4-tert-butylcyclohexylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[(4-tert-butylcyclohexylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 164643528) is 2-[(4-tert-butylcyclohexylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(4-tert-butylcyclohexylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(4-tert-butylcyclohexylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC(C)(C)C1CCC(=CB2OC(C)(C)C(C)(C)O2)CC1.
What is the InChIKey of 2-[(4-tert-butylcyclohexylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is DRPMDLCZNXWNSQ-SEYXRHQNSA-N. The full InChI is InChI=1S/C17H31BO2/c1-15(2,3)14-10-8-13(9-11-14)12-18-19-16(4,5)17(6,7)20-18/h12,14H,8-11H2,1-7H3/b13-12-.
What are the key properties of 2-[(4-tert-butylcyclohexylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[(4-tert-butylcyclohexylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 278.25 g/mol, XLogP of 4.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylcyclohexylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 164643528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).