propan-2-ylselanylbenzene;4,4,5,5-tetramethyl-2-propan-2-yl-1,3,2-dioxaborolane

C18H31BO2Se — CID 154665724

IUPACpropan-2-ylselanylbenzene;4,4,5,5-tetramethyl-2-propan-2-yl-1,3,2-dioxaborolane
SMILESCC(C)B1OC(C)(C)C(C)(C)O1.CC(C)[Se]c1ccccc1
InChIInChI=1S/C9H19BO2.C9H12Se/c1-7(2)10-11-8(3,4)9(5,6)12-10;1-8(2)10-9-6-4-3-5-7-9/h7H,1-6H3;3-8H,1-2H3
InChIKeyCGOABMGOOJDDMC-UHFFFAOYSA-N
MW369.22 g/mol
LogP4.33
Rot. Bonds3

About propan-2-ylselanylbenzene;4,4,5,5-tetramethyl-2-propan-2-yl-1,3,2-dioxaborolane

propan-2-ylselanylbenzene;4,4,5,5-tetramethyl-2-propan-2-yl-1,3,2-dioxaborolane (PubChem CID 154665724) has the molecular formula C18H31BO2Se and a molecular weight of 369.22 g/mol. Its IUPAC name is propan-2-ylselanylbenzene;4,4,5,5-tetramethyl-2-propan-2-yl-1,3,2-dioxaborolane.

Molecular Properties

Compound Namepropan-2-ylselanylbenzene;4,4,5,5-tetramethyl-2-propan-2-yl-1,3,2-dioxaborolane
PubChem CID154665724
Molecular FormulaC18H31BO2Se
Molecular Weight369.22 g/mol
Exact Mass370.16
IUPAC Namepropan-2-ylselanylbenzene;4,4,5,5-tetramethyl-2-propan-2-yl-1,3,2-dioxaborolane
SMILESCC(C)B1OC(C)(C)C(C)(C)O1.CC(C)[Se]c1ccccc1
InChIInChI=1S/C9H19BO2.C9H12Se/c1-7(2)10-11-8(3,4)9(5,6)12-10;1-8(2)10-9-6-4-3-5-7-9/h7H,1-6H3;3-8H,1-2H3
InChIKeyCGOABMGOOJDDMC-UHFFFAOYSA-N
XLogP4.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.22
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-propan-2-yl-1,3,2-benzodioxaborole;4,4,5,5-tetramethyl-2-propan-2-yl-1,3,2-dioxaborolane
CID 170582116
4,4,5,5-tetramethyl-2-[(1R)-1-phenyl-2,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-1,3,2-dioxaborolane
CID 139203595
4,4,5,5-tetramethyl-2-[(1R)-1-(4-phenylphenyl)ethyl]-1,3,2-dioxaborolane
CID 171477870
4-propan-2-ylphenol;4,4,5,5-tetramethyl-2-propan-2-yl-1,3,2-dioxaborolane
CID 165079137
4,4,5,5-tetramethyl-2-(3-methyl-1-phenylbutan-2-yl)-1,3,2-dioxaborolane
CID 102424463
2-(1-isocyano-2-phenylethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 139593259
4,4,5,5-tetramethyl-2-[(1R)-1-(4-phenoxyphenyl)ethyl]-1,3,2-dioxaborolane
CID 171477859
4,4,5,5-tetramethyl-2-[(2R,3R)-3-phenylpent-4-en-2-yl]-1,3,2-dioxaborolane
CID 177451955
4,4,5,5-tetramethyl-2-(5-phenylpentan-2-yl)-1,3,2-dioxaborolane
CID 165350697
4,4,5,5-tetramethyl-2-[2-methyl-1-(2-methylphenyl)propyl]-1,3,2-dioxaborolane
CID 101043912
5,5-dimethyl-2-propan-2-yl-1,3,2-dioxaborinane;2-propan-2-yl-1,3,2-benzodioxaborole;propan-2-ylboronic acid;4,4,5,5-tetramethyl-2-propan-2-yl-1,3,2-dioxaborolane
CID 161457528
(R)-(4-phenylphenyl)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanamine
CID 171191111

Frequently Asked Questions

What is the IUPAC name of propan-2-ylselanylbenzene;4,4,5,5-tetramethyl-2-propan-2-yl-1,3,2-dioxaborolane?
The IUPAC name of propan-2-ylselanylbenzene;4,4,5,5-tetramethyl-2-propan-2-yl-1,3,2-dioxaborolane (CID 154665724) is propan-2-ylselanylbenzene;4,4,5,5-tetramethyl-2-propan-2-yl-1,3,2-dioxaborolane.
What is the SMILES notation for propan-2-ylselanylbenzene;4,4,5,5-tetramethyl-2-propan-2-yl-1,3,2-dioxaborolane?
The canonical SMILES for propan-2-ylselanylbenzene;4,4,5,5-tetramethyl-2-propan-2-yl-1,3,2-dioxaborolane is CC(C)B1OC(C)(C)C(C)(C)O1.CC(C)[Se]c1ccccc1.
What is the InChIKey of propan-2-ylselanylbenzene;4,4,5,5-tetramethyl-2-propan-2-yl-1,3,2-dioxaborolane?
The InChIKey is CGOABMGOOJDDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19BO2.C9H12Se/c1-7(2)10-11-8(3,4)9(5,6)12-10;1-8(2)10-9-6-4-3-5-7-9/h7H,1-6H3;3-8H,1-2H3.
What are the key properties of propan-2-ylselanylbenzene;4,4,5,5-tetramethyl-2-propan-2-yl-1,3,2-dioxaborolane?
propan-2-ylselanylbenzene;4,4,5,5-tetramethyl-2-propan-2-yl-1,3,2-dioxaborolane has a molecular weight of 369.22 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-ylselanylbenzene;4,4,5,5-tetramethyl-2-propan-2-yl-1,3,2-dioxaborolane is sourced from PubChem (CID 154665724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).