3,4-bis(tributylstannyl)-2H-furan-5-one

C28H56O2Sn2 — CID 10651975

IUPAC3,4-bis(tributylstannyl)-2H-furan-5-one
SMILESCCCC[Sn](CCCC)(CCCC)C1=C([Sn](CCCC)(CCCC)CCCC)C(=O)OC1
InChIInChI=1S/C4H2O2.6C4H9.2Sn/c5-4-2-1-3-6-4;6*1-3-4-2;;/h3H2;6*1,3-4H2,2H3;;
InChIKeySKDLVEPDSIVKFI-UHFFFAOYSA-N
MW662.18 g/mol
LogP9.62
Rot. Bonds20

About 3,4-bis(tributylstannyl)-2H-furan-5-one

3,4-bis(tributylstannyl)-2H-furan-5-one (PubChem CID 10651975) has the molecular formula C28H56O2Sn2 and a molecular weight of 662.18 g/mol. Its IUPAC name is 3,4-bis(tributylstannyl)-2H-furan-5-one.

Molecular Properties

Compound Name3,4-bis(tributylstannyl)-2H-furan-5-one
PubChem CID10651975
Molecular FormulaC28H56O2Sn2
Molecular Weight662.18 g/mol
Exact Mass664.23
IUPAC Name3,4-bis(tributylstannyl)-2H-furan-5-one
SMILESCCCC[Sn](CCCC)(CCCC)C1=C([Sn](CCCC)(CCCC)CCCC)C(=O)OC1
InChIInChI=1S/C4H2O2.6C4H9.2Sn/c5-4-2-1-3-6-4;6*1-3-4-2;;/h3H2;6*1,3-4H2,2H3;;
InChIKeySKDLVEPDSIVKFI-UHFFFAOYSA-N
XLogP9.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.18
LogP ≤ 59.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-bis(tributylstannyl)-2H-furan-5-one?
The IUPAC name of 3,4-bis(tributylstannyl)-2H-furan-5-one (CID 10651975) is 3,4-bis(tributylstannyl)-2H-furan-5-one.
What is the SMILES notation for 3,4-bis(tributylstannyl)-2H-furan-5-one?
The canonical SMILES for 3,4-bis(tributylstannyl)-2H-furan-5-one is CCCC[Sn](CCCC)(CCCC)C1=C([Sn](CCCC)(CCCC)CCCC)C(=O)OC1.
What is the InChIKey of 3,4-bis(tributylstannyl)-2H-furan-5-one?
The InChIKey is SKDLVEPDSIVKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2O2.6C4H9.2Sn/c5-4-2-1-3-6-4;6*1-3-4-2;;/h3H2;6*1,3-4H2,2H3;;.
What are the key properties of 3,4-bis(tributylstannyl)-2H-furan-5-one?
3,4-bis(tributylstannyl)-2H-furan-5-one has a molecular weight of 662.18 g/mol, XLogP of 9.62, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(tributylstannyl)-2H-furan-5-one is sourced from PubChem (CID 10651975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).