λ2-stannane;(2-methyl-2-phenylpropyl) 5-bromofuran-2-carboxylate

C15H17BrO3Sn — CID 175022019

IUPACλ2-stannane;(2-methyl-2-phenylpropyl) 5-bromofuran-2-carboxylate
SMILESCC(C)(COC(=O)c1ccc(Br)o1)c1ccccc1.[SnH2]
InChIInChI=1S/C15H15BrO3.Sn.2H/c1-15(2,11-6-4-3-5-7-11)10-18-14(17)12-8-9-13(16)19-12;;;/h3-9H,10H2,1-2H3;;;
InChIKeySSAKLCACKFCGNB-UHFFFAOYSA-N
MW443.91 g/mol
LogP3.26
Rot. Bonds4

About λ2-stannane;(2-methyl-2-phenylpropyl) 5-bromofuran-2-carboxylate

λ2-stannane;(2-methyl-2-phenylpropyl) 5-bromofuran-2-carboxylate (PubChem CID 175022019) has the molecular formula C15H17BrO3Sn and a molecular weight of 443.91 g/mol. Its IUPAC name is λ2-stannane;(2-methyl-2-phenylpropyl) 5-bromofuran-2-carboxylate.

Molecular Properties

Compound Nameλ2-stannane;(2-methyl-2-phenylpropyl) 5-bromofuran-2-carboxylate
PubChem CID175022019
Molecular FormulaC15H17BrO3Sn
Molecular Weight443.91 g/mol
Exact Mass443.94
IUPAC Nameλ2-stannane;(2-methyl-2-phenylpropyl) 5-bromofuran-2-carboxylate
SMILESCC(C)(COC(=O)c1ccc(Br)o1)c1ccccc1.[SnH2]
InChIInChI=1S/C15H15BrO3.Sn.2H/c1-15(2,11-6-4-3-5-7-11)10-18-14(17)12-8-9-13(16)19-12;;;/h3-9H,10H2,1-2H3;;;
InChIKeySSAKLCACKFCGNB-UHFFFAOYSA-N
XLogP3.26
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.91
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methyl-2-phenylpropyl) hydrogen carbonate
CID 150979314
tert-butyl 5-bromofuran-2-carboxylate
CID 18788676
6-(5-bromofuran-2-carbonyl)oxyhexyl 5-bromofuran-2-carboxylate
CID 4926795
aluminum;(2-methyl-2-phenylpropyl) acetate;trichloride
CID 68741763
(2-methyl-2-phenylpropyl) 3-methylbenzoate
CID 175010549
(2-methyl-2-phenylpropyl) prop-2-enoate
CID 141318899
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 5-bromofuran-2-carboxylate
CID 7716846
[2-(2-methoxyanilino)-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 2589480
benzyl 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 7899424
[2-[di(propan-2-yl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 2390481
(2-methyl-2-phenylpropyl) hydrogen selenate
CID 174978550
(2-methyl-2-phenylpropyl) 2-[7-[[2-(2-methyl-2-phenylpropoxy)carbonylbenzoyl]amino]heptylcarbamoyl]benzoate
CID 102286325

Frequently Asked Questions

What is the IUPAC name of λ2-stannane;(2-methyl-2-phenylpropyl) 5-bromofuran-2-carboxylate?
The IUPAC name of λ2-stannane;(2-methyl-2-phenylpropyl) 5-bromofuran-2-carboxylate (CID 175022019) is λ2-stannane;(2-methyl-2-phenylpropyl) 5-bromofuran-2-carboxylate.
What is the SMILES notation for λ2-stannane;(2-methyl-2-phenylpropyl) 5-bromofuran-2-carboxylate?
The canonical SMILES for λ2-stannane;(2-methyl-2-phenylpropyl) 5-bromofuran-2-carboxylate is CC(C)(COC(=O)c1ccc(Br)o1)c1ccccc1.[SnH2].
What is the InChIKey of λ2-stannane;(2-methyl-2-phenylpropyl) 5-bromofuran-2-carboxylate?
The InChIKey is SSAKLCACKFCGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO3.Sn.2H/c1-15(2,11-6-4-3-5-7-11)10-18-14(17)12-8-9-13(16)19-12;;;/h3-9H,10H2,1-2H3;;;.
What are the key properties of λ2-stannane;(2-methyl-2-phenylpropyl) 5-bromofuran-2-carboxylate?
λ2-stannane;(2-methyl-2-phenylpropyl) 5-bromofuran-2-carboxylate has a molecular weight of 443.91 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for λ2-stannane;(2-methyl-2-phenylpropyl) 5-bromofuran-2-carboxylate is sourced from PubChem (CID 175022019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).