tributyl-(3-morpholin-4-ylcyclohex-2-en-1-yl)stannane

C22H43NOSn — CID 14250106

IUPACtributyl-(3-morpholin-4-ylcyclohex-2-en-1-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)C1C=C(N2CCOCC2)CCC1
InChIInChI=1S/C10H16NO.3C4H9.Sn/c1-2-4-10(5-3-1)11-6-8-12-9-7-11;3*1-3-4-2;/h2,4H,1,3,5-9H2;3*1,3-4H2,2H3;
InChIKeyHLMJCSKDWHZKMM-UHFFFAOYSA-N
MW456.30 g/mol
LogP6.61
Rot. Bonds11

About tributyl-(3-morpholin-4-ylcyclohex-2-en-1-yl)stannane

tributyl-(3-morpholin-4-ylcyclohex-2-en-1-yl)stannane (PubChem CID 14250106) has the molecular formula C22H43NOSn and a molecular weight of 456.30 g/mol. Its IUPAC name is tributyl-(3-morpholin-4-ylcyclohex-2-en-1-yl)stannane.

Molecular Properties

Compound Nametributyl-(3-morpholin-4-ylcyclohex-2-en-1-yl)stannane
PubChem CID14250106
Molecular FormulaC22H43NOSn
Molecular Weight456.30 g/mol
Exact Mass457.24
IUPAC Nametributyl-(3-morpholin-4-ylcyclohex-2-en-1-yl)stannane
SMILESCCCC[Sn](CCCC)(CCCC)C1C=C(N2CCOCC2)CCC1
InChIInChI=1S/C10H16NO.3C4H9.Sn/c1-2-4-10(5-3-1)11-6-8-12-9-7-11;3*1-3-4-2;/h2,4H,1,3,5-9H2;3*1,3-4H2,2H3;
InChIKeyHLMJCSKDWHZKMM-UHFFFAOYSA-N
XLogP6.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.30
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze tributyl-(3-morpholin-4-ylcyclohex-2-en-1-yl)stannane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tributyl-(3-morpholin-4-ylcyclohex-2-en-1-yl)stannane?
The IUPAC name of tributyl-(3-morpholin-4-ylcyclohex-2-en-1-yl)stannane (CID 14250106) is tributyl-(3-morpholin-4-ylcyclohex-2-en-1-yl)stannane.
What is the SMILES notation for tributyl-(3-morpholin-4-ylcyclohex-2-en-1-yl)stannane?
The canonical SMILES for tributyl-(3-morpholin-4-ylcyclohex-2-en-1-yl)stannane is CCCC[Sn](CCCC)(CCCC)C1C=C(N2CCOCC2)CCC1.
What is the InChIKey of tributyl-(3-morpholin-4-ylcyclohex-2-en-1-yl)stannane?
The InChIKey is HLMJCSKDWHZKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16NO.3C4H9.Sn/c1-2-4-10(5-3-1)11-6-8-12-9-7-11;3*1-3-4-2;/h2,4H,1,3,5-9H2;3*1,3-4H2,2H3;.
What are the key properties of tributyl-(3-morpholin-4-ylcyclohex-2-en-1-yl)stannane?
tributyl-(3-morpholin-4-ylcyclohex-2-en-1-yl)stannane has a molecular weight of 456.30 g/mol, XLogP of 6.61, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(3-morpholin-4-ylcyclohex-2-en-1-yl)stannane is sourced from PubChem (CID 14250106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).