2-[tert-butyl(dimethyl)silyl]oxytridecanal

C19H40O2Si — CID 170917454

IUPAC2-[tert-butyl(dimethyl)silyl]oxytridecanal
SMILESCCCCCCCCCCCC(C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H40O2Si/c1-7-8-9-10-11-12-13-14-15-16-18(17-20)21-22(5,6)19(2,3)4/h17-18H,7-16H2,1-6H3
InChIKeyOKUFTEVKNNEWPV-UHFFFAOYSA-N
MW328.61 g/mol
LogP6.50
Rot. Bonds13

About 2-[tert-butyl(dimethyl)silyl]oxytridecanal

2-[tert-butyl(dimethyl)silyl]oxytridecanal (PubChem CID 170917454) has the molecular formula C19H40O2Si and a molecular weight of 328.61 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxytridecanal.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxytridecanal
PubChem CID170917454
Molecular FormulaC19H40O2Si
Molecular Weight328.61 g/mol
Exact Mass328.28
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxytridecanal
SMILESCCCCCCCCCCCC(C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H40O2Si/c1-7-8-9-10-11-12-13-14-15-16-18(17-20)21-22(5,6)19(2,3)4/h17-18H,7-16H2,1-6H3
InChIKeyOKUFTEVKNNEWPV-UHFFFAOYSA-N
XLogP6.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.61
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

(2S)-2-[tert-butyl(dimethyl)silyl]oxyheptanal
CID 10490533
methyl 9-[tert-butyl(dimethyl)silyl]oxy-10-oxodecanoate
CID 11843719
tert-butyl-(1-iodooct-1-en-3-yloxy)-dimethylsilane
CID 53400857
4-[tert-butyl(dimethyl)silyl]oxyoct-2-enal
CID 71343055
tert-butyl-dimethyl-pentadecan-2-yloxysilane
CID 6430239
tert-butyl-dimethyl-tridecan-2-yloxysilane
CID 102272520
(2S)-2-[tert-butyl(diphenyl)silyl]oxyheptanal
CID 10937503
tert-butyl-dimethyl-[(3R)-1-tributylstannyloct-1-en-3-yl]oxysilane
CID 173153144
(E,2S,3R,6R)-1,3,6-tris[[tert-butyl(dimethyl)silyl]oxy]octadec-4-en-2-amine
CID 11365820
3-[tert-butyl(dimethyl)silyl]oxyoctadecan-2-one
CID 46237114
ethyl (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate
CID 56641063
3-[[tert-butyl(dimethyl)silyl]oxymethyl]octanal
CID 101239528

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxytridecanal?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxytridecanal (CID 170917454) is 2-[tert-butyl(dimethyl)silyl]oxytridecanal.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxytridecanal?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxytridecanal is CCCCCCCCCCCC(C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxytridecanal?
The InChIKey is OKUFTEVKNNEWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O2Si/c1-7-8-9-10-11-12-13-14-15-16-18(17-20)21-22(5,6)19(2,3)4/h17-18H,7-16H2,1-6H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxytridecanal?
2-[tert-butyl(dimethyl)silyl]oxytridecanal has a molecular weight of 328.61 g/mol, XLogP of 6.50, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxytridecanal is sourced from PubChem (CID 170917454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).