tributyl(1-phenylmethoxypenta-2,3-dien-2-yl)stannane

C24H40OSn — CID 10671765

IUPACtributyl(1-phenylmethoxypenta-2,3-dien-2-yl)stannane
SMILESCC=C=C(COCc1ccccc1)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C12H13O.3C4H9.Sn/c1-2-3-7-10-13-11-12-8-5-4-6-9-12;3*1-3-4-2;/h2,4-6,8-9H,10-11H2,1H3;3*1,3-4H2,2H3;
InChIKeyKJJVIRRCSYNCCS-UHFFFAOYSA-N
MW463.29 g/mol
LogP7.69
Rot. Bonds14

About tributyl(1-phenylmethoxypenta-2,3-dien-2-yl)stannane

tributyl(1-phenylmethoxypenta-2,3-dien-2-yl)stannane (PubChem CID 10671765) has the molecular formula C24H40OSn and a molecular weight of 463.29 g/mol. Its IUPAC name is tributyl(1-phenylmethoxypenta-2,3-dien-2-yl)stannane.

Molecular Properties

Compound Nametributyl(1-phenylmethoxypenta-2,3-dien-2-yl)stannane
PubChem CID10671765
Molecular FormulaC24H40OSn
Molecular Weight463.29 g/mol
Exact Mass464.21
IUPAC Nametributyl(1-phenylmethoxypenta-2,3-dien-2-yl)stannane
SMILESCC=C=C(COCc1ccccc1)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C12H13O.3C4H9.Sn/c1-2-3-7-10-13-11-12-8-5-4-6-9-12;3*1-3-4-2;/h2,4-6,8-9H,10-11H2,1H3;3*1,3-4H2,2H3;
InChIKeyKJJVIRRCSYNCCS-UHFFFAOYSA-N
XLogP7.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.29
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tributyl(1-phenylmethoxypenta-2,3-dien-2-yl)stannane?
The IUPAC name of tributyl(1-phenylmethoxypenta-2,3-dien-2-yl)stannane (CID 10671765) is tributyl(1-phenylmethoxypenta-2,3-dien-2-yl)stannane.
What is the SMILES notation for tributyl(1-phenylmethoxypenta-2,3-dien-2-yl)stannane?
The canonical SMILES for tributyl(1-phenylmethoxypenta-2,3-dien-2-yl)stannane is CC=C=C(COCc1ccccc1)[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl(1-phenylmethoxypenta-2,3-dien-2-yl)stannane?
The InChIKey is KJJVIRRCSYNCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13O.3C4H9.Sn/c1-2-3-7-10-13-11-12-8-5-4-6-9-12;3*1-3-4-2;/h2,4-6,8-9H,10-11H2,1H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl(1-phenylmethoxypenta-2,3-dien-2-yl)stannane?
tributyl(1-phenylmethoxypenta-2,3-dien-2-yl)stannane has a molecular weight of 463.29 g/mol, XLogP of 7.69, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(1-phenylmethoxypenta-2,3-dien-2-yl)stannane is sourced from PubChem (CID 10671765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).