(3R)-3-trimethylsilyloxypent-4-enal

C8H16O2Si — CID 134895161

IUPAC(3R)-3-trimethylsilyloxypent-4-enal
SMILESC=C[C@@H](CC=O)O[Si](C)(C)C
InChIInChI=1S/C8H16O2Si/c1-5-8(6-7-9)10-11(2,3)4/h5,7-8H,1,6H2,2-4H3/t8-/m0/s1
InChIKeyYXNNIDCYBWWJJG-QMMMGPOBSA-N
MW172.30 g/mol
LogP1.98
Rot. Bonds5

About (3R)-3-trimethylsilyloxypent-4-enal

(3R)-3-trimethylsilyloxypent-4-enal (PubChem CID 134895161) has the molecular formula C8H16O2Si and a molecular weight of 172.30 g/mol. Its IUPAC name is (3R)-3-trimethylsilyloxypent-4-enal.

Molecular Properties

Compound Name(3R)-3-trimethylsilyloxypent-4-enal
PubChem CID134895161
Molecular FormulaC8H16O2Si
Molecular Weight172.30 g/mol
Exact Mass172.09
IUPAC Name(3R)-3-trimethylsilyloxypent-4-enal
SMILESC=C[C@@H](CC=O)O[Si](C)(C)C
InChIInChI=1S/C8H16O2Si/c1-5-8(6-7-9)10-11(2,3)4/h5,7-8H,1,6H2,2-4H3/t8-/m0/s1
InChIKeyYXNNIDCYBWWJJG-QMMMGPOBSA-N
XLogP1.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 51.98
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-trimethylsilyloxypent-4-enal?
The IUPAC name of (3R)-3-trimethylsilyloxypent-4-enal (CID 134895161) is (3R)-3-trimethylsilyloxypent-4-enal.
What is the SMILES notation for (3R)-3-trimethylsilyloxypent-4-enal?
The canonical SMILES for (3R)-3-trimethylsilyloxypent-4-enal is C=C[C@@H](CC=O)O[Si](C)(C)C.
What is the InChIKey of (3R)-3-trimethylsilyloxypent-4-enal?
The InChIKey is YXNNIDCYBWWJJG-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H16O2Si/c1-5-8(6-7-9)10-11(2,3)4/h5,7-8H,1,6H2,2-4H3/t8-/m0/s1.
What are the key properties of (3R)-3-trimethylsilyloxypent-4-enal?
(3R)-3-trimethylsilyloxypent-4-enal has a molecular weight of 172.30 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-trimethylsilyloxypent-4-enal is sourced from PubChem (CID 134895161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).