2-[diethoxy(ethyl)silyl]butanal

C10H22O3Si — CID 87595599

IUPAC2-[diethoxy(ethyl)silyl]butanal
SMILESCCO[Si](CC)(OCC)C(C=O)CC
InChIInChI=1S/C10H22O3Si/c1-5-10(9-11)14(8-4,12-6-2)13-7-3/h9-10H,5-8H2,1-4H3
InChIKeyDHYKOMGMZBRXDQ-UHFFFAOYSA-N
MW218.37 g/mol
LogP2.50
Rot. Bonds8

About 2-[diethoxy(ethyl)silyl]butanal

2-[diethoxy(ethyl)silyl]butanal (PubChem CID 87595599) has the molecular formula C10H22O3Si and a molecular weight of 218.37 g/mol. Its IUPAC name is 2-[diethoxy(ethyl)silyl]butanal.

Molecular Properties

Compound Name2-[diethoxy(ethyl)silyl]butanal
PubChem CID87595599
Molecular FormulaC10H22O3Si
Molecular Weight218.37 g/mol
Exact Mass218.13
IUPAC Name2-[diethoxy(ethyl)silyl]butanal
SMILESCCO[Si](CC)(OCC)C(C=O)CC
InChIInChI=1S/C10H22O3Si/c1-5-10(9-11)14(8-4,12-6-2)13-7-3/h9-10H,5-8H2,1-4H3
InChIKeyDHYKOMGMZBRXDQ-UHFFFAOYSA-N
XLogP2.50
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[diethoxy(ethyl)silyl]decanal
CID 87595226
1-[diethoxy(ethyl)silyl]ethyl-diethoxy-ethylsilane
CID 87295758
1-chloroethyl-diethoxy-ethylsilane
CID 54412794
2-[ethyl(dimethoxy)silyl]heptanal
CID 87594625
2-triethoxysilyldodecanal
CID 162716787
2-methyl-4-triethoxysilylhex-2-enamide
CID 173061961
acetaldehyde;tetraethyl silicate
CID 174865015
(2R)-2-triethylsilyloxybutanal
CID 88543648
7,9-bis[diethoxy(ethyl)silyl]pentadecan-8-one
CID 87593778
(2S)-2-triethylsilylhexanal
CID 15443078
1-[diethoxy(propyl)silyl]propan-1-amine
CID 87427191
butan-2-yl-butyl-diethoxysilane
CID 23358225

Frequently Asked Questions

What is the IUPAC name of 2-[diethoxy(ethyl)silyl]butanal?
The IUPAC name of 2-[diethoxy(ethyl)silyl]butanal (CID 87595599) is 2-[diethoxy(ethyl)silyl]butanal.
What is the SMILES notation for 2-[diethoxy(ethyl)silyl]butanal?
The canonical SMILES for 2-[diethoxy(ethyl)silyl]butanal is CCO[Si](CC)(OCC)C(C=O)CC.
What is the InChIKey of 2-[diethoxy(ethyl)silyl]butanal?
The InChIKey is DHYKOMGMZBRXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3Si/c1-5-10(9-11)14(8-4,12-6-2)13-7-3/h9-10H,5-8H2,1-4H3.
What are the key properties of 2-[diethoxy(ethyl)silyl]butanal?
2-[diethoxy(ethyl)silyl]butanal has a molecular weight of 218.37 g/mol, XLogP of 2.50, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[diethoxy(ethyl)silyl]butanal is sourced from PubChem (CID 87595599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).