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

C21H34O3Sn — CID 140997584

IUPAC5-butylnonan-5-yl-[5-(1,3-dioxol-2-ylmethyl)furan-2-yl]tin
SMILESCCCCC(CCCC)(CCCC)[Sn]c1ccc(CC2OC=CO2)o1
InChIInChI=1S/C13H27.C8H7O3.Sn/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-2-7(9-3-1)6-8-10-4-5-11-8;/h4-12H2,1-3H3;1-2,4-5,8H,6H2;
InChIKeyYJVUVHHCJRBGSO-UHFFFAOYSA-N
MW453.21 g/mol
LogP5.72
Rot. Bonds13

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

5-butylnonan-5-yl-[5-(1,3-dioxol-2-ylmethyl)furan-2-yl]tin (PubChem CID 140997584) has the molecular formula C21H34O3Sn and a molecular weight of 453.21 g/mol. Its IUPAC name is 5-butylnonan-5-yl-[5-(1,3-dioxol-2-ylmethyl)furan-2-yl]tin.

Molecular Properties

Compound Name5-butylnonan-5-yl-[5-(1,3-dioxol-2-ylmethyl)furan-2-yl]tin
PubChem CID140997584
Molecular FormulaC21H34O3Sn
Molecular Weight453.21 g/mol
Exact Mass454.15
IUPAC Name5-butylnonan-5-yl-[5-(1,3-dioxol-2-ylmethyl)furan-2-yl]tin
SMILESCCCCC(CCCC)(CCCC)[Sn]c1ccc(CC2OC=CO2)o1
InChIInChI=1S/C13H27.C8H7O3.Sn/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-2-7(9-3-1)6-8-10-4-5-11-8;/h4-12H2,1-3H3;1-2,4-5,8H,6H2;
InChIKeyYJVUVHHCJRBGSO-UHFFFAOYSA-N
XLogP5.72
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.21
LogP ≤ 55.72
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-[5-(1,3-dioxol-2-ylmethyl)furan-2-yl]tin?
The IUPAC name of 5-butylnonan-5-yl-[5-(1,3-dioxol-2-ylmethyl)furan-2-yl]tin (CID 140997584) is 5-butylnonan-5-yl-[5-(1,3-dioxol-2-ylmethyl)furan-2-yl]tin.
What is the SMILES notation for 5-butylnonan-5-yl-[5-(1,3-dioxol-2-ylmethyl)furan-2-yl]tin?
The canonical SMILES for 5-butylnonan-5-yl-[5-(1,3-dioxol-2-ylmethyl)furan-2-yl]tin is CCCCC(CCCC)(CCCC)[Sn]c1ccc(CC2OC=CO2)o1.
What is the InChIKey of 5-butylnonan-5-yl-[5-(1,3-dioxol-2-ylmethyl)furan-2-yl]tin?
The InChIKey is YJVUVHHCJRBGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27.C8H7O3.Sn/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-2-7(9-3-1)6-8-10-4-5-11-8;/h4-12H2,1-3H3;1-2,4-5,8H,6H2;.
What are the key properties of 5-butylnonan-5-yl-[5-(1,3-dioxol-2-ylmethyl)furan-2-yl]tin?
5-butylnonan-5-yl-[5-(1,3-dioxol-2-ylmethyl)furan-2-yl]tin has a molecular weight of 453.21 g/mol, XLogP of 5.72, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butylnonan-5-yl-[5-(1,3-dioxol-2-ylmethyl)furan-2-yl]tin is sourced from PubChem (CID 140997584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).