tributyl-[4-(9-chlorononyl)phenyl]stannane

C27H49ClSn — CID 19991924

IUPACtributyl-[4-(9-chlorononyl)phenyl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc(CCCCCCCCCCl)cc1
InChIInChI=1S/C15H22Cl.3C4H9.Sn/c16-14-10-5-3-1-2-4-7-11-15-12-8-6-9-13-15;3*1-3-4-2;/h8-9,12-13H,1-5,7,10-11,14H2;3*1,3-4H2,2H3;
InChIKeyGFFNCCYYFLMUEG-UHFFFAOYSA-N
MW527.85 g/mol
LogP9.25
Rot. Bonds19

About tributyl-[4-(9-chlorononyl)phenyl]stannane

tributyl-[4-(9-chlorononyl)phenyl]stannane (PubChem CID 19991924) has the molecular formula C27H49ClSn and a molecular weight of 527.85 g/mol. Its IUPAC name is tributyl-[4-(9-chlorononyl)phenyl]stannane.

Molecular Properties

Compound Nametributyl-[4-(9-chlorononyl)phenyl]stannane
PubChem CID19991924
Molecular FormulaC27H49ClSn
Molecular Weight527.85 g/mol
Exact Mass528.25
IUPAC Nametributyl-[4-(9-chlorononyl)phenyl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc(CCCCCCCCCCl)cc1
InChIInChI=1S/C15H22Cl.3C4H9.Sn/c16-14-10-5-3-1-2-4-7-11-15-12-8-6-9-13-15;3*1-3-4-2;/h8-9,12-13H,1-5,7,10-11,14H2;3*1,3-4H2,2H3;
InChIKeyGFFNCCYYFLMUEG-UHFFFAOYSA-N
XLogP9.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.85
LogP ≤ 59.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-4-[2-[4-(4-chlorobutyl)phenyl]propan-2-yl]benzene
CID 134339617
tributyl-(5-nonyl-2-pyridinyl)stannane
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1-butyl-4-nonylbenzene
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1-(6-chlorohexyl)-4-methylbenzene;ethane
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1-butyl-4-(4-chlorobutoxy)benzene
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2-(4-tributylstannylphenyl)ethanesulfonic acid
CID 87619939
bis(4-hexylphenyl)tin
CID 177496129
1-N,1-N,4-N,4-N-tetrakis(4-octylphenyl)benzene-1,4-diamine
CID 59470455
1-(5-chloropentyl)-4-fluorobenzene
CID 57030730
1-(chloromethyl)-4-(4-nonylphenyl)benzene
CID 21284608
N,N-dichloro-4-hexylaniline
CID 87850897
1-octyl-4-(4-octylphenyl)benzene
CID 22766415

Frequently Asked Questions

What is the IUPAC name of tributyl-[4-(9-chlorononyl)phenyl]stannane?
The IUPAC name of tributyl-[4-(9-chlorononyl)phenyl]stannane (CID 19991924) is tributyl-[4-(9-chlorononyl)phenyl]stannane.
What is the SMILES notation for tributyl-[4-(9-chlorononyl)phenyl]stannane?
The canonical SMILES for tributyl-[4-(9-chlorononyl)phenyl]stannane is CCCC[Sn](CCCC)(CCCC)c1ccc(CCCCCCCCCCl)cc1.
What is the InChIKey of tributyl-[4-(9-chlorononyl)phenyl]stannane?
The InChIKey is GFFNCCYYFLMUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl.3C4H9.Sn/c16-14-10-5-3-1-2-4-7-11-15-12-8-6-9-13-15;3*1-3-4-2;/h8-9,12-13H,1-5,7,10-11,14H2;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[4-(9-chlorononyl)phenyl]stannane?
tributyl-[4-(9-chlorononyl)phenyl]stannane has a molecular weight of 527.85 g/mol, XLogP of 9.25, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[4-(9-chlorononyl)phenyl]stannane is sourced from PubChem (CID 19991924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).