triethyl(4-methylpenta-1,2,3-trienyl)stannane

C12H22Sn — CID 12730936

IUPACtriethyl(4-methylpenta-1,2,3-trienyl)stannane
SMILESCC[Sn](C=C=C=C(C)C)(CC)CC
InChIInChI=1S/C6H7.3C2H5.Sn/c1-4-5-6(2)3;3*1-2;/h1H,2-3H3;3*1H2,2H3;
InChIKeyBGTQPOCTKIFVSU-UHFFFAOYSA-N
MW285.02 g/mol
LogP4.31
Rot. Bonds4

About triethyl(4-methylpenta-1,2,3-trienyl)stannane

triethyl(4-methylpenta-1,2,3-trienyl)stannane (PubChem CID 12730936) has the molecular formula C12H22Sn and a molecular weight of 285.02 g/mol. Its IUPAC name is triethyl(4-methylpenta-1,2,3-trienyl)stannane.

Molecular Properties

Compound Nametriethyl(4-methylpenta-1,2,3-trienyl)stannane
PubChem CID12730936
Molecular FormulaC12H22Sn
Molecular Weight285.02 g/mol
Exact Mass286.07
IUPAC Nametriethyl(4-methylpenta-1,2,3-trienyl)stannane
SMILESCC[Sn](C=C=C=C(C)C)(CC)CC
InChIInChI=1S/C6H7.3C2H5.Sn/c1-4-5-6(2)3;3*1-2;/h1H,2-3H3;3*1H2,2H3;
InChIKeyBGTQPOCTKIFVSU-UHFFFAOYSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.02
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of triethyl(4-methylpenta-1,2,3-trienyl)stannane?
The IUPAC name of triethyl(4-methylpenta-1,2,3-trienyl)stannane (CID 12730936) is triethyl(4-methylpenta-1,2,3-trienyl)stannane.
What is the SMILES notation for triethyl(4-methylpenta-1,2,3-trienyl)stannane?
The canonical SMILES for triethyl(4-methylpenta-1,2,3-trienyl)stannane is CC[Sn](C=C=C=C(C)C)(CC)CC.
What is the InChIKey of triethyl(4-methylpenta-1,2,3-trienyl)stannane?
The InChIKey is BGTQPOCTKIFVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7.3C2H5.Sn/c1-4-5-6(2)3;3*1-2;/h1H,2-3H3;3*1H2,2H3;.
What are the key properties of triethyl(4-methylpenta-1,2,3-trienyl)stannane?
triethyl(4-methylpenta-1,2,3-trienyl)stannane has a molecular weight of 285.02 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl(4-methylpenta-1,2,3-trienyl)stannane is sourced from PubChem (CID 12730936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).