2-[(4Z)-4-(triethylsilylmethylidene)oxolan-3-yl]acetaldehyde

C13H24O2Si — CID 177410306

IUPAC2-[(4Z)-4-(triethylsilylmethylidene)oxolan-3-yl]acetaldehyde
SMILESCC[Si](/C=C1\COCC1CC=O)(CC)CC
InChIInChI=1S/C13H24O2Si/c1-4-16(5-2,6-3)11-13-10-15-9-12(13)7-8-14/h8,11-12H,4-7,9-10H2,1-3H3/b13-11+
InChIKeyWAUNJFBYFHTEMM-ACCUITESSA-N
MW240.42 g/mol
LogP3.20
Rot. Bonds6

About 2-[(4Z)-4-(triethylsilylmethylidene)oxolan-3-yl]acetaldehyde

2-[(4Z)-4-(triethylsilylmethylidene)oxolan-3-yl]acetaldehyde (PubChem CID 177410306) has the molecular formula C13H24O2Si and a molecular weight of 240.42 g/mol. Its IUPAC name is 2-[(4Z)-4-(triethylsilylmethylidene)oxolan-3-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(4Z)-4-(triethylsilylmethylidene)oxolan-3-yl]acetaldehyde
PubChem CID177410306
Molecular FormulaC13H24O2Si
Molecular Weight240.42 g/mol
Exact Mass240.15
IUPAC Name2-[(4Z)-4-(triethylsilylmethylidene)oxolan-3-yl]acetaldehyde
SMILESCC[Si](/C=C1\COCC1CC=O)(CC)CC
InChIInChI=1S/C13H24O2Si/c1-4-16(5-2,6-3)11-13-10-15-9-12(13)7-8-14/h8,11-12H,4-7,9-10H2,1-3H3/b13-11+
InChIKeyWAUNJFBYFHTEMM-ACCUITESSA-N
XLogP3.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(4E)-4-(trimethylsilylmethylidene)oxolan-3-yl]acetaldehyde
CID 133676639
2-[(4Z)-4-(trimethylsilylmethylidene)oxolan-3-yl]acetaldehyde
CID 11816464
2-(4-Methylideneoxolan-3-yl)acetaldehyde
CID 13113529

Frequently Asked Questions

What is the IUPAC name of 2-[(4Z)-4-(triethylsilylmethylidene)oxolan-3-yl]acetaldehyde?
The IUPAC name of 2-[(4Z)-4-(triethylsilylmethylidene)oxolan-3-yl]acetaldehyde (CID 177410306) is 2-[(4Z)-4-(triethylsilylmethylidene)oxolan-3-yl]acetaldehyde.
What is the SMILES notation for 2-[(4Z)-4-(triethylsilylmethylidene)oxolan-3-yl]acetaldehyde?
The canonical SMILES for 2-[(4Z)-4-(triethylsilylmethylidene)oxolan-3-yl]acetaldehyde is CC[Si](/C=C1\COCC1CC=O)(CC)CC.
What is the InChIKey of 2-[(4Z)-4-(triethylsilylmethylidene)oxolan-3-yl]acetaldehyde?
The InChIKey is WAUNJFBYFHTEMM-ACCUITESSA-N. The full InChI is InChI=1S/C13H24O2Si/c1-4-16(5-2,6-3)11-13-10-15-9-12(13)7-8-14/h8,11-12H,4-7,9-10H2,1-3H3/b13-11+.
What are the key properties of 2-[(4Z)-4-(triethylsilylmethylidene)oxolan-3-yl]acetaldehyde?
2-[(4Z)-4-(triethylsilylmethylidene)oxolan-3-yl]acetaldehyde has a molecular weight of 240.42 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4Z)-4-(triethylsilylmethylidene)oxolan-3-yl]acetaldehyde is sourced from PubChem (CID 177410306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).