2-[(E)-2-(2-adamantyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C18H29BO2 — CID 164643972

IUPAC2-[(E)-2-(2-adamantyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(/C=C/C2C3CC4CC(C3)CC2C4)OC1(C)C
InChIInChI=1S/C18H29BO2/c1-17(2)18(3,4)21-19(20-17)6-5-16-14-8-12-7-13(10-14)11-15(16)9-12/h5-6,12-16H,7-11H2,1-4H3/b6-5+
InChIKeyGOGSOEHEOKVOEB-AATRIKPKSA-N
MW288.24 g/mol
LogP4.25
Rot. Bonds2

About 2-[(E)-2-(2-adamantyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[(E)-2-(2-adamantyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 164643972) has the molecular formula C18H29BO2 and a molecular weight of 288.24 g/mol. Its IUPAC name is 2-[(E)-2-(2-adamantyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[(E)-2-(2-adamantyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID164643972
Molecular FormulaC18H29BO2
Molecular Weight288.24 g/mol
Exact Mass288.23
IUPAC Name2-[(E)-2-(2-adamantyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(/C=C/C2C3CC4CC(C3)CC2C4)OC1(C)C
InChIInChI=1S/C18H29BO2/c1-17(2)18(3,4)21-19(20-17)6-5-16-14-8-12-7-13(10-14)11-15(16)9-12/h5-6,12-16H,7-11H2,1-4H3/b6-5+
InChIKeyGOGSOEHEOKVOEB-AATRIKPKSA-N
XLogP4.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.24
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(E)-2-(2-adamantyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(E)-3-(1-adamantyl)prop-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 164673330
2-[2-(1-Adamantyl)-1-fluoroethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171110325
2-[2-(2-Adamantylidene)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 132520609
2-[(Adamantan-2-ylidene)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 133621896
4,4,5,5-tetramethyl-2-[(E)-2-(4-propan-2-ylcyclohexyl)ethenyl]-1,3,2-dioxaborolane
CID 133623671
2-[(Z)-2-(2-bicyclo[2.2.2]octanyl)prop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 133675141
2-[2-(3-Ethylcyclohexyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 165471037

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(2-adamantyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[(E)-2-(2-adamantyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 164643972) is 2-[(E)-2-(2-adamantyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[(E)-2-(2-adamantyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[(E)-2-(2-adamantyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(/C=C/C2C3CC4CC(C3)CC2C4)OC1(C)C.
What is the InChIKey of 2-[(E)-2-(2-adamantyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is GOGSOEHEOKVOEB-AATRIKPKSA-N. The full InChI is InChI=1S/C18H29BO2/c1-17(2)18(3,4)21-19(20-17)6-5-16-14-8-12-7-13(10-14)11-15(16)9-12/h5-6,12-16H,7-11H2,1-4H3/b6-5+.
What are the key properties of 2-[(E)-2-(2-adamantyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[(E)-2-(2-adamantyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 288.24 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(2-adamantyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 164643972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).