5-butylnonan-5-yl-[3-(1,3-dioxol-2-yl)thiophen-2-yl]tin

C20H32O2SSn — CID 140986624

IUPAC5-butylnonan-5-yl-[3-(1,3-dioxol-2-yl)thiophen-2-yl]tin
SMILESCCCCC(CCCC)(CCCC)[Sn]c1sccc1C1OC=CO1
InChIInChI=1S/C13H27.C7H5O2S.Sn/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-4-10-5-6(1)7-8-2-3-9-7;/h4-12H2,1-3H3;1-4,7H;
InChIKeyQOVXVQCDQMGARB-UHFFFAOYSA-N
MW455.25 g/mol
LogP6.32
Rot. Bonds12

About 5-butylnonan-5-yl-[3-(1,3-dioxol-2-yl)thiophen-2-yl]tin

5-butylnonan-5-yl-[3-(1,3-dioxol-2-yl)thiophen-2-yl]tin (PubChem CID 140986624) has the molecular formula C20H32O2SSn and a molecular weight of 455.25 g/mol. Its IUPAC name is 5-butylnonan-5-yl-[3-(1,3-dioxol-2-yl)thiophen-2-yl]tin.

Molecular Properties

Compound Name5-butylnonan-5-yl-[3-(1,3-dioxol-2-yl)thiophen-2-yl]tin
PubChem CID140986624
Molecular FormulaC20H32O2SSn
Molecular Weight455.25 g/mol
Exact Mass456.11
IUPAC Name5-butylnonan-5-yl-[3-(1,3-dioxol-2-yl)thiophen-2-yl]tin
SMILESCCCCC(CCCC)(CCCC)[Sn]c1sccc1C1OC=CO1
InChIInChI=1S/C13H27.C7H5O2S.Sn/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-4-10-5-6(1)7-8-2-3-9-7;/h4-12H2,1-3H3;1-4,7H;
InChIKeyQOVXVQCDQMGARB-UHFFFAOYSA-N
XLogP6.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.25
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-butylnonan-5-yl-[3-(1,3-dioxol-2-yl)thiophen-2-yl]tin?
The IUPAC name of 5-butylnonan-5-yl-[3-(1,3-dioxol-2-yl)thiophen-2-yl]tin (CID 140986624) is 5-butylnonan-5-yl-[3-(1,3-dioxol-2-yl)thiophen-2-yl]tin.
What is the SMILES notation for 5-butylnonan-5-yl-[3-(1,3-dioxol-2-yl)thiophen-2-yl]tin?
The canonical SMILES for 5-butylnonan-5-yl-[3-(1,3-dioxol-2-yl)thiophen-2-yl]tin is CCCCC(CCCC)(CCCC)[Sn]c1sccc1C1OC=CO1.
What is the InChIKey of 5-butylnonan-5-yl-[3-(1,3-dioxol-2-yl)thiophen-2-yl]tin?
The InChIKey is QOVXVQCDQMGARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27.C7H5O2S.Sn/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-4-10-5-6(1)7-8-2-3-9-7;/h4-12H2,1-3H3;1-4,7H;.
What are the key properties of 5-butylnonan-5-yl-[3-(1,3-dioxol-2-yl)thiophen-2-yl]tin?
5-butylnonan-5-yl-[3-(1,3-dioxol-2-yl)thiophen-2-yl]tin has a molecular weight of 455.25 g/mol, XLogP of 6.32, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butylnonan-5-yl-[3-(1,3-dioxol-2-yl)thiophen-2-yl]tin is sourced from PubChem (CID 140986624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).