tributyl-(3,4,6,7,8-pentamethyl-5-methylidenedec-9-en-1-ynyl)stannane

C28H52Sn — CID 139252761

IUPACtributyl-(3,4,6,7,8-pentamethyl-5-methylidenedec-9-en-1-ynyl)stannane
SMILESC=CC(C)C(C)C(C)C(=C)C(C)C(C)C#C[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C16H25.3C4H9.Sn/c1-9-11(3)13(5)15(7)16(8)14(6)12(4)10-2;3*1-3-4-2;/h9,11-15H,1,8H2,3-7H3;3*1,3-4H2,2H3;
InChIKeyVPDUTJLUXVFUEW-UHFFFAOYSA-N
MW507.44 g/mol
LogP9.30
Rot. Bonds15

About tributyl-(3,4,6,7,8-pentamethyl-5-methylidenedec-9-en-1-ynyl)stannane

tributyl-(3,4,6,7,8-pentamethyl-5-methylidenedec-9-en-1-ynyl)stannane (PubChem CID 139252761) has the molecular formula C28H52Sn and a molecular weight of 507.44 g/mol. Its IUPAC name is tributyl-(3,4,6,7,8-pentamethyl-5-methylidenedec-9-en-1-ynyl)stannane.

Molecular Properties

Compound Nametributyl-(3,4,6,7,8-pentamethyl-5-methylidenedec-9-en-1-ynyl)stannane
PubChem CID139252761
Molecular FormulaC28H52Sn
Molecular Weight507.44 g/mol
Exact Mass508.31
IUPAC Nametributyl-(3,4,6,7,8-pentamethyl-5-methylidenedec-9-en-1-ynyl)stannane
SMILESC=CC(C)C(C)C(C)C(=C)C(C)C(C)C#C[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C16H25.3C4H9.Sn/c1-9-11(3)13(5)15(7)16(8)14(6)12(4)10-2;3*1-3-4-2;/h9,11-15H,1,8H2,3-7H3;3*1,3-4H2,2H3;
InChIKeyVPDUTJLUXVFUEW-UHFFFAOYSA-N
XLogP9.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.44
LogP ≤ 59.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tributyl-(3,4,6,7,8-pentamethyl-5-methylidenedec-9-en-1-ynyl)stannane?
The IUPAC name of tributyl-(3,4,6,7,8-pentamethyl-5-methylidenedec-9-en-1-ynyl)stannane (CID 139252761) is tributyl-(3,4,6,7,8-pentamethyl-5-methylidenedec-9-en-1-ynyl)stannane.
What is the SMILES notation for tributyl-(3,4,6,7,8-pentamethyl-5-methylidenedec-9-en-1-ynyl)stannane?
The canonical SMILES for tributyl-(3,4,6,7,8-pentamethyl-5-methylidenedec-9-en-1-ynyl)stannane is C=CC(C)C(C)C(C)C(=C)C(C)C(C)C#C[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl-(3,4,6,7,8-pentamethyl-5-methylidenedec-9-en-1-ynyl)stannane?
The InChIKey is VPDUTJLUXVFUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25.3C4H9.Sn/c1-9-11(3)13(5)15(7)16(8)14(6)12(4)10-2;3*1-3-4-2;/h9,11-15H,1,8H2,3-7H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-(3,4,6,7,8-pentamethyl-5-methylidenedec-9-en-1-ynyl)stannane?
tributyl-(3,4,6,7,8-pentamethyl-5-methylidenedec-9-en-1-ynyl)stannane has a molecular weight of 507.44 g/mol, XLogP of 9.30, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(3,4,6,7,8-pentamethyl-5-methylidenedec-9-en-1-ynyl)stannane is sourced from PubChem (CID 139252761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).