2-methylidene-3-trimethylsilyloxybutanal

C8H16O2Si — CID 130025927

IUPAC2-methylidene-3-trimethylsilyloxybutanal
SMILESC=C(C=O)C(C)O[Si](C)(C)C
InChIInChI=1S/C8H16O2Si/c1-7(6-9)8(2)10-11(3,4)5/h6,8H,1H2,2-5H3
InChIKeyOAHCBVCJPNHKHD-UHFFFAOYSA-N
MW172.30 g/mol
LogP1.98
Rot. Bonds4

About 2-methylidene-3-trimethylsilyloxybutanal

2-methylidene-3-trimethylsilyloxybutanal (PubChem CID 130025927) has the molecular formula C8H16O2Si and a molecular weight of 172.30 g/mol. Its IUPAC name is 2-methylidene-3-trimethylsilyloxybutanal.

Molecular Properties

Compound Name2-methylidene-3-trimethylsilyloxybutanal
PubChem CID130025927
Molecular FormulaC8H16O2Si
Molecular Weight172.30 g/mol
Exact Mass172.09
IUPAC Name2-methylidene-3-trimethylsilyloxybutanal
SMILESC=C(C=O)C(C)O[Si](C)(C)C
InChIInChI=1S/C8H16O2Si/c1-7(6-9)8(2)10-11(3,4)5/h6,8H,1H2,2-5H3
InChIKeyOAHCBVCJPNHKHD-UHFFFAOYSA-N
XLogP1.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-3-trimethylsilyloxybutanal?
The IUPAC name of 2-methylidene-3-trimethylsilyloxybutanal (CID 130025927) is 2-methylidene-3-trimethylsilyloxybutanal.
What is the SMILES notation for 2-methylidene-3-trimethylsilyloxybutanal?
The canonical SMILES for 2-methylidene-3-trimethylsilyloxybutanal is C=C(C=O)C(C)O[Si](C)(C)C.
What is the InChIKey of 2-methylidene-3-trimethylsilyloxybutanal?
The InChIKey is OAHCBVCJPNHKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2Si/c1-7(6-9)8(2)10-11(3,4)5/h6,8H,1H2,2-5H3.
What are the key properties of 2-methylidene-3-trimethylsilyloxybutanal?
2-methylidene-3-trimethylsilyloxybutanal has a molecular weight of 172.30 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-3-trimethylsilyloxybutanal is sourced from PubChem (CID 130025927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).