2-triethoxysilyldodecanal

C18H38O4Si — CID 162716787

IUPAC2-triethoxysilyldodecanal
SMILESCCCCCCCCCCC(C=O)[Si](OCC)(OCC)OCC
InChIInChI=1S/C18H38O4Si/c1-5-9-10-11-12-13-14-15-16-18(17-19)23(20-6-2,21-7-3)22-8-4/h17-18H,5-16H2,1-4H3
InChIKeyIDCMIGLRCMCOID-UHFFFAOYSA-N
MW346.58 g/mol
LogP5.13
Rot. Bonds17

About 2-triethoxysilyldodecanal

2-triethoxysilyldodecanal (PubChem CID 162716787) has the molecular formula C18H38O4Si and a molecular weight of 346.58 g/mol. Its IUPAC name is 2-triethoxysilyldodecanal.

Molecular Properties

Compound Name2-triethoxysilyldodecanal
PubChem CID162716787
Molecular FormulaC18H38O4Si
Molecular Weight346.58 g/mol
Exact Mass346.25
IUPAC Name2-triethoxysilyldodecanal
SMILESCCCCCCCCCCC(C=O)[Si](OCC)(OCC)OCC
InChIInChI=1S/C18H38O4Si/c1-5-9-10-11-12-13-14-15-16-18(17-19)23(20-6-2,21-7-3)22-8-4/h17-18H,5-16H2,1-4H3
InChIKeyIDCMIGLRCMCOID-UHFFFAOYSA-N
XLogP5.13
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.58
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[diethoxy(ethyl)silyl]decanal
CID 87595226
1-triethoxysilyldecan-1-amine
CID 87463354
2-[ethyl(dimethoxy)silyl]heptanal
CID 87594625
N,N-dimethyl-1-triethoxysilylhexan-1-amine
CID 89262216
2-undecylpropanedial
CID 20505732
(2S)-2-triethylsilylhexanal
CID 15443078
triethoxy-[1-(1-triethoxysilyldodecylheptasulfanyl)dodecyl]silane
CID 54431230
2-methyldodecanal
CID 87784106
(2S)-2-fluorohexadecanal
CID 134857256
2-sulfanyltridecanal
CID 134564742
2-ethylheptadecanal
CID 18629573
2-aminooctanal
CID 54076326

Frequently Asked Questions

What is the IUPAC name of 2-triethoxysilyldodecanal?
The IUPAC name of 2-triethoxysilyldodecanal (CID 162716787) is 2-triethoxysilyldodecanal.
What is the SMILES notation for 2-triethoxysilyldodecanal?
The canonical SMILES for 2-triethoxysilyldodecanal is CCCCCCCCCCC(C=O)[Si](OCC)(OCC)OCC.
What is the InChIKey of 2-triethoxysilyldodecanal?
The InChIKey is IDCMIGLRCMCOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O4Si/c1-5-9-10-11-12-13-14-15-16-18(17-19)23(20-6-2,21-7-3)22-8-4/h17-18H,5-16H2,1-4H3.
What are the key properties of 2-triethoxysilyldodecanal?
2-triethoxysilyldodecanal has a molecular weight of 346.58 g/mol, XLogP of 5.13, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-triethoxysilyldodecanal is sourced from PubChem (CID 162716787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).