2-[(3R,4R)-4-(triphenylstannylmethyl)oxolan-3-yl]acetaldehyde

C25H26O2Sn — CID 14936720

IUPAC2-[(3R,4R)-4-(triphenylstannylmethyl)oxolan-3-yl]acetaldehyde
SMILESO=CC[C@H]1COC[C@@H]1C[Sn](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C7H11O2.3C6H5.Sn/c1-6-4-9-5-7(6)2-3-8;3*1-2-4-6-5-3-1;/h3,6-7H,1-2,4-5H2;3*1-5H;/t6-,7-;;;;/m0..../s1
InChIKeyAQSKWAIZLFHXKQ-PDFZZBEWSA-N
MW477.19 g/mol
LogP3.01
Rot. Bonds7

About 2-[(3R,4R)-4-(triphenylstannylmethyl)oxolan-3-yl]acetaldehyde

2-[(3R,4R)-4-(triphenylstannylmethyl)oxolan-3-yl]acetaldehyde (PubChem CID 14936720) has the molecular formula C25H26O2Sn and a molecular weight of 477.19 g/mol. Its IUPAC name is 2-[(3R,4R)-4-(triphenylstannylmethyl)oxolan-3-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(3R,4R)-4-(triphenylstannylmethyl)oxolan-3-yl]acetaldehyde
PubChem CID14936720
Molecular FormulaC25H26O2Sn
Molecular Weight477.19 g/mol
Exact Mass478.10
IUPAC Name2-[(3R,4R)-4-(triphenylstannylmethyl)oxolan-3-yl]acetaldehyde
SMILESO=CC[C@H]1COC[C@@H]1C[Sn](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C7H11O2.3C6H5.Sn/c1-6-4-9-5-7(6)2-3-8;3*1-2-4-6-5-3-1;/h3,6-7H,1-2,4-5H2;3*1-5H;/t6-,7-;;;;/m0..../s1
InChIKeyAQSKWAIZLFHXKQ-PDFZZBEWSA-N
XLogP3.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.19
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(3R,4S)-4-(triphenylstannylmethyl)oxolan-3-yl]acetaldehyde
CID 10390271
2-[(3S,4R)-4-(triphenylstannylmethyl)oxolan-3-yl]acetaldehyde
CID 177506419
2-[(3S,4S)-4-(triphenylstannylmethyl)oxolan-3-yl]acetaldehyde
CID 177513906

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4R)-4-(triphenylstannylmethyl)oxolan-3-yl]acetaldehyde?
The IUPAC name of 2-[(3R,4R)-4-(triphenylstannylmethyl)oxolan-3-yl]acetaldehyde (CID 14936720) is 2-[(3R,4R)-4-(triphenylstannylmethyl)oxolan-3-yl]acetaldehyde.
What is the SMILES notation for 2-[(3R,4R)-4-(triphenylstannylmethyl)oxolan-3-yl]acetaldehyde?
The canonical SMILES for 2-[(3R,4R)-4-(triphenylstannylmethyl)oxolan-3-yl]acetaldehyde is O=CC[C@H]1COC[C@@H]1C[Sn](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[(3R,4R)-4-(triphenylstannylmethyl)oxolan-3-yl]acetaldehyde?
The InChIKey is AQSKWAIZLFHXKQ-PDFZZBEWSA-N. The full InChI is InChI=1S/C7H11O2.3C6H5.Sn/c1-6-4-9-5-7(6)2-3-8;3*1-2-4-6-5-3-1;/h3,6-7H,1-2,4-5H2;3*1-5H;/t6-,7-;;;;/m0..../s1.
What are the key properties of 2-[(3R,4R)-4-(triphenylstannylmethyl)oxolan-3-yl]acetaldehyde?
2-[(3R,4R)-4-(triphenylstannylmethyl)oxolan-3-yl]acetaldehyde has a molecular weight of 477.19 g/mol, XLogP of 3.01, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4R)-4-(triphenylstannylmethyl)oxolan-3-yl]acetaldehyde is sourced from PubChem (CID 14936720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).