bis[1-(4-tributylstannylphenyl)cyclopentyl]methanone

C47H78OSn2 — CID 69181796

IUPACbis[1-(4-tributylstannylphenyl)cyclopentyl]methanone
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc(C2(C(=O)C3(c4ccc([Sn](CCCC)(CCCC)CCCC)cc4)CCCC3)CCCC2)cc1
InChIInChI=1S/C23H24O.6C4H9.2Sn/c24-21(22(15-7-8-16-22)19-11-3-1-4-12-19)23(17-9-10-18-23)20-13-5-2-6-14-20;6*1-3-4-2;;/h3-6,11-14H,7-10,15-18H2;6*1,3-4H2,2H3;;
InChIKeyQZBVJRYIJUZHJH-UHFFFAOYSA-N
MW896.56 g/mol
LogP13.69
Rot. Bonds24

About bis[1-(4-tributylstannylphenyl)cyclopentyl]methanone

bis[1-(4-tributylstannylphenyl)cyclopentyl]methanone (PubChem CID 69181796) has the molecular formula C47H78OSn2 and a molecular weight of 896.56 g/mol. Its IUPAC name is bis[1-(4-tributylstannylphenyl)cyclopentyl]methanone.

Molecular Properties

Compound Namebis[1-(4-tributylstannylphenyl)cyclopentyl]methanone
PubChem CID69181796
Molecular FormulaC47H78OSn2
Molecular Weight896.56 g/mol
Exact Mass898.41
IUPAC Namebis[1-(4-tributylstannylphenyl)cyclopentyl]methanone
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc(C2(C(=O)C3(c4ccc([Sn](CCCC)(CCCC)CCCC)cc4)CCCC3)CCCC2)cc1
InChIInChI=1S/C23H24O.6C4H9.2Sn/c24-21(22(15-7-8-16-22)19-11-3-1-4-12-19)23(17-9-10-18-23)20-13-5-2-6-14-20;6*1-3-4-2;;/h3-6,11-14H,7-10,15-18H2;6*1,3-4H2,2H3;;
InChIKeyQZBVJRYIJUZHJH-UHFFFAOYSA-N
XLogP13.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds24
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500896.56
LogP ≤ 513.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

bis[1-(4-chlorophenyl)cyclohexyl]methanone
CID 139779969
4-tributylstannylbenzamide
CID 11004124
1-[4-(1-pentanoylcyclohexyl)phenyl]pentan-1-one
CID 70445054
trans-methyl (1R,2S)-2-phenyl-1-(4-tributylstannylphenyl)cyclopropane-1-carboxylate
CID 11842872
1-[1-(4-ethylphenyl)cyclopentyl]ethanone
CID 82284998
methyl 1-[4-(5-tributylstannylpyrazin-2-yl)phenyl]cyclopropane-1-carboxylate
CID 151109576
1-(4-chlorophenyl)-N-ethylcyclohexane-1-carboxamide
CID 118534759
2-chloro-4-tributylstannylbenzoic acid
CID 177426097
ethyl 1-(4-methylphenyl)cyclopentane-1-carboxylate
CID 15029975
1-(1-phenylcyclopentyl)propan-1-one
CID 63080096
butyl 1-phenylcyclobutane-1-carboxylate
CID 112724955
1-[4-(diethylamino)phenyl]cyclopentane-1-carboxylic acid
CID 117408044

Frequently Asked Questions

What is the IUPAC name of bis[1-(4-tributylstannylphenyl)cyclopentyl]methanone?
The IUPAC name of bis[1-(4-tributylstannylphenyl)cyclopentyl]methanone (CID 69181796) is bis[1-(4-tributylstannylphenyl)cyclopentyl]methanone.
What is the SMILES notation for bis[1-(4-tributylstannylphenyl)cyclopentyl]methanone?
The canonical SMILES for bis[1-(4-tributylstannylphenyl)cyclopentyl]methanone is CCCC[Sn](CCCC)(CCCC)c1ccc(C2(C(=O)C3(c4ccc([Sn](CCCC)(CCCC)CCCC)cc4)CCCC3)CCCC2)cc1.
What is the InChIKey of bis[1-(4-tributylstannylphenyl)cyclopentyl]methanone?
The InChIKey is QZBVJRYIJUZHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O.6C4H9.2Sn/c24-21(22(15-7-8-16-22)19-11-3-1-4-12-19)23(17-9-10-18-23)20-13-5-2-6-14-20;6*1-3-4-2;;/h3-6,11-14H,7-10,15-18H2;6*1,3-4H2,2H3;;.
What are the key properties of bis[1-(4-tributylstannylphenyl)cyclopentyl]methanone?
bis[1-(4-tributylstannylphenyl)cyclopentyl]methanone has a molecular weight of 896.56 g/mol, XLogP of 13.69, 24 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis[1-(4-tributylstannylphenyl)cyclopentyl]methanone is sourced from PubChem (CID 69181796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).