4-[Bis(4-methylphenyl)stannyl]butyl acetate

C20H25O2Sn — CID 78068064

IUPAC—
SMILESCC(=O)OCCCC[Sn](c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/2C7H7.C6H11O2.Sn/c2*1-7-5-3-2-4-6-7;1-3-4-5-8-6(2)7;/h2*3-6H,1H3;1,3-5H2,2H3;
InChIKeyDGDXBVCPZHRHOR-UHFFFAOYSA-N
MW416.13 g/mol
LogP3.26
Rot. Bonds7

About 4-[Bis(4-methylphenyl)stannyl]butyl acetate

4-[Bis(4-methylphenyl)stannyl]butyl acetate (PubChem CID 78068064) has the molecular formula C20H25O2Sn and a molecular weight of 416.13 g/mol.

Molecular Properties

Compound Name4-[Bis(4-methylphenyl)stannyl]butyl acetate
PubChem CID78068064
Molecular FormulaC20H25O2Sn
Molecular Weight416.13 g/mol
Exact Mass417.09
IUPAC Name—
SMILESCC(=O)OCCCC[Sn](c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/2C7H7.C6H11O2.Sn/c2*1-7-5-3-2-4-6-7;1-3-4-5-8-6(2)7;/h2*3-6H,1H3;1,3-5H2,2H3;
InChIKeyDGDXBVCPZHRHOR-UHFFFAOYSA-N
XLogP3.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.13
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(4-methylanilino)hexyl acetate
CID 142531812
11-acetyloxyundecyl acetate
CID 87784419
2-[5-(4-methylphenyl)pentoxy]ethyl acetate
CID 57045041
(4-methylphenyl)selanylmethyl acetate
CID 139264970
9-(6-methylnaphthalen-2-yl)nonyl acetate
CID 171920221
butyl 4-(2-acetyloxyethoxy)butanoate;1,4-xylene
CID 67946449
ethyl acetate;4-methylaniline
CID 159639684
4-(2-methylphenyl)butyl acetate
CID 145430143
6-(2,4-dimethylphenyl)hex-5-enyl acetate
CID 72594663
6-bis(2,4,6-trimethylbenzoyl)phosphanylhexyl acetate
CID 59218782
4-(2,3-dimethylphenoxy)butyl acetate
CID 69169507
2-[4-(4-methylbenzoyl)phenoxy]ethyl acetate
CID 141354412

Frequently Asked Questions

What is the IUPAC name of 4-[Bis(4-methylphenyl)stannyl]butyl acetate?
The IUPAC name of 4-[Bis(4-methylphenyl)stannyl]butyl acetate (CID 78068064) is not available.
What is the SMILES notation for 4-[Bis(4-methylphenyl)stannyl]butyl acetate?
The canonical SMILES for 4-[Bis(4-methylphenyl)stannyl]butyl acetate is CC(=O)OCCCC[Sn](c1ccc(C)cc1)c1ccc(C)cc1.
What is the InChIKey of 4-[Bis(4-methylphenyl)stannyl]butyl acetate?
The InChIKey is DGDXBVCPZHRHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H7.C6H11O2.Sn/c2*1-7-5-3-2-4-6-7;1-3-4-5-8-6(2)7;/h2*3-6H,1H3;1,3-5H2,2H3;.
What are the key properties of 4-[Bis(4-methylphenyl)stannyl]butyl acetate?
4-[Bis(4-methylphenyl)stannyl]butyl acetate has a molecular weight of 416.13 g/mol, XLogP of 3.26, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[Bis(4-methylphenyl)stannyl]butyl acetate is sourced from PubChem (CID 78068064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).