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

C10H18O2Si — CID 11816464

IUPAC2-[(4Z)-4-(trimethylsilylmethylidene)oxolan-3-yl]acetaldehyde
SMILESC[Si](C)(C)/C=C1\COCC1CC=O
InChIInChI=1S/C10H18O2Si/c1-13(2,3)8-10-7-12-6-9(10)4-5-11/h5,8-9H,4,6-7H2,1-3H3/b10-8+
InChIKeyYTLNJSUALYGPOI-CSKARUKUSA-N
MW198.34 g/mol
LogP2.03
Rot. Bonds3

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

2-[(4Z)-4-(trimethylsilylmethylidene)oxolan-3-yl]acetaldehyde (PubChem CID 11816464) has the molecular formula C10H18O2Si and a molecular weight of 198.34 g/mol. Its IUPAC name is 2-[(4Z)-4-(trimethylsilylmethylidene)oxolan-3-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(4Z)-4-(trimethylsilylmethylidene)oxolan-3-yl]acetaldehyde
PubChem CID11816464
Molecular FormulaC10H18O2Si
Molecular Weight198.34 g/mol
Exact Mass198.11
IUPAC Name2-[(4Z)-4-(trimethylsilylmethylidene)oxolan-3-yl]acetaldehyde
SMILESC[Si](C)(C)/C=C1\COCC1CC=O
InChIInChI=1S/C10H18O2Si/c1-13(2,3)8-10-7-12-6-9(10)4-5-11/h5,8-9H,4,6-7H2,1-3H3/b10-8+
InChIKeyYTLNJSUALYGPOI-CSKARUKUSA-N
XLogP2.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.34
LogP ≤ 52.03
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-(4-Methylideneoxolan-3-yl)acetaldehyde
CID 13113529
2-[(4Z)-4-(triethylsilylmethylidene)oxolan-3-yl]acetaldehyde
CID 177410306

Frequently Asked Questions

What is the IUPAC name of 2-[(4Z)-4-(trimethylsilylmethylidene)oxolan-3-yl]acetaldehyde?
The IUPAC name of 2-[(4Z)-4-(trimethylsilylmethylidene)oxolan-3-yl]acetaldehyde (CID 11816464) is 2-[(4Z)-4-(trimethylsilylmethylidene)oxolan-3-yl]acetaldehyde.
What is the SMILES notation for 2-[(4Z)-4-(trimethylsilylmethylidene)oxolan-3-yl]acetaldehyde?
The canonical SMILES for 2-[(4Z)-4-(trimethylsilylmethylidene)oxolan-3-yl]acetaldehyde is C[Si](C)(C)/C=C1\COCC1CC=O.
What is the InChIKey of 2-[(4Z)-4-(trimethylsilylmethylidene)oxolan-3-yl]acetaldehyde?
The InChIKey is YTLNJSUALYGPOI-CSKARUKUSA-N. The full InChI is InChI=1S/C10H18O2Si/c1-13(2,3)8-10-7-12-6-9(10)4-5-11/h5,8-9H,4,6-7H2,1-3H3/b10-8+.
What are the key properties of 2-[(4Z)-4-(trimethylsilylmethylidene)oxolan-3-yl]acetaldehyde?
2-[(4Z)-4-(trimethylsilylmethylidene)oxolan-3-yl]acetaldehyde has a molecular weight of 198.34 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4Z)-4-(trimethylsilylmethylidene)oxolan-3-yl]acetaldehyde is sourced from PubChem (CID 11816464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).