2-[2-(2-adamantylidene)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C18H29BO2 — CID 132520609

IUPAC2-[2-(2-adamantylidene)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(CC=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/h5,12-15H,6-11H2,1-4H3/b16-5-
InChIKeyXDTADJMMRPQXQO-BNCCVWRVSA-N
MW288.24 g/mol
LogP4.46
Rot. Bonds2

About 2-[2-(2-adamantylidene)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[2-(2-adamantylidene)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 132520609) has the molecular formula C18H29BO2 and a molecular weight of 288.24 g/mol. Its IUPAC name is 2-[2-(2-adamantylidene)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[2-(2-adamantylidene)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID132520609
Molecular FormulaC18H29BO2
Molecular Weight288.24 g/mol
Exact Mass288.23
IUPAC Name2-[2-(2-adamantylidene)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(CC=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/h5,12-15H,6-11H2,1-4H3/b16-5-
InChIKeyXDTADJMMRPQXQO-BNCCVWRVSA-N
XLogP4.46
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 ≤ 54.46
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'}

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Related Compounds

2-[(E)-3-cyclohexylbut-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 102523471
2-[(E)-2-cyclohexylbut-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 102523473
4,4,5,5-tetramethyl-2-[(Z)-4-[(1R,5S)-2-methylidene-5-prop-1-en-2-ylcyclohexyl]but-2-en-2-yl]-1,3,2-dioxaborolane
CID 146168144
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-Adamantylidene(fluoro)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171112088
2-(3,4,8,8a,8b,12a-Hexahydrotriphenylen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 123233724
2-(1,2,5,6,8a,12a-Hexahydrobenzo[g]phenanthren-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 123567481
2-(4-Cyclohexylcyclohex-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 131567973
2-[4-(4-Ethylcyclohexylidene)cyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 142317432
2-[4-(4-Ethylidenecyclohexyl)cyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 145005978
4,4,5,5-Tetramethyl-2-[[4-(3-methyl-4-propylcyclohexyl)cyclohexen-1-yl]methyl]-1,3,2-dioxaborolane
CID 145006030

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-adamantylidene)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[2-(2-adamantylidene)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 132520609) is 2-[2-(2-adamantylidene)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[2-(2-adamantylidene)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[2-(2-adamantylidene)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(CC=C2C3CC4CC(C3)CC2C4)OC1(C)C.
What is the InChIKey of 2-[2-(2-adamantylidene)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is XDTADJMMRPQXQO-BNCCVWRVSA-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/h5,12-15H,6-11H2,1-4H3/b16-5-.
What are the key properties of 2-[2-(2-adamantylidene)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[2-(2-adamantylidene)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 288.24 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-adamantylidene)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 132520609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).