2,3,4-tributyl-5-stannyl-2H-furan-5-carbaldehyde

C17H32O2Sn — CID 174716188

IUPAC2,3,4-tributyl-5-stannyl-2H-furan-5-carbaldehyde
SMILESCCCCC1=C(CCCC)C([SnH3])(C=O)OC1CCCC
InChIInChI=1S/C17H29O2.Sn.3H/c1-4-7-10-14-15(11-8-5-2)17(13-18)19-16(14)12-9-6-3;;;;/h13,16H,4-12H2,1-3H3;;;;
InChIKeyAPAWJJDENXBRKV-UHFFFAOYSA-N
MW387.15 g/mol
LogP3.51
Rot. Bonds10

About 2,3,4-tributyl-5-stannyl-2H-furan-5-carbaldehyde

2,3,4-tributyl-5-stannyl-2H-furan-5-carbaldehyde (PubChem CID 174716188) has the molecular formula C17H32O2Sn and a molecular weight of 387.15 g/mol. Its IUPAC name is 2,3,4-tributyl-5-stannyl-2H-furan-5-carbaldehyde.

Molecular Properties

Compound Name2,3,4-tributyl-5-stannyl-2H-furan-5-carbaldehyde
PubChem CID174716188
Molecular FormulaC17H32O2Sn
Molecular Weight387.15 g/mol
Exact Mass388.14
IUPAC Name2,3,4-tributyl-5-stannyl-2H-furan-5-carbaldehyde
SMILESCCCCC1=C(CCCC)C([SnH3])(C=O)OC1CCCC
InChIInChI=1S/C17H29O2.Sn.3H/c1-4-7-10-14-15(11-8-5-2)17(13-18)19-16(14)12-9-6-3;;;;/h13,16H,4-12H2,1-3H3;;;;
InChIKeyAPAWJJDENXBRKV-UHFFFAOYSA-N
XLogP3.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.15
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-tributyl-5-stannyl-2H-furan-5-carbaldehyde?
The IUPAC name of 2,3,4-tributyl-5-stannyl-2H-furan-5-carbaldehyde (CID 174716188) is 2,3,4-tributyl-5-stannyl-2H-furan-5-carbaldehyde.
What is the SMILES notation for 2,3,4-tributyl-5-stannyl-2H-furan-5-carbaldehyde?
The canonical SMILES for 2,3,4-tributyl-5-stannyl-2H-furan-5-carbaldehyde is CCCCC1=C(CCCC)C([SnH3])(C=O)OC1CCCC.
What is the InChIKey of 2,3,4-tributyl-5-stannyl-2H-furan-5-carbaldehyde?
The InChIKey is APAWJJDENXBRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29O2.Sn.3H/c1-4-7-10-14-15(11-8-5-2)17(13-18)19-16(14)12-9-6-3;;;;/h13,16H,4-12H2,1-3H3;;;;.
What are the key properties of 2,3,4-tributyl-5-stannyl-2H-furan-5-carbaldehyde?
2,3,4-tributyl-5-stannyl-2H-furan-5-carbaldehyde has a molecular weight of 387.15 g/mol, XLogP of 3.51, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-tributyl-5-stannyl-2H-furan-5-carbaldehyde is sourced from PubChem (CID 174716188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).