3-[[tert-butyl(dimethyl)silyl]oxymethyl]octanal

C15H32O2Si — CID 101239528

IUPAC3-[[tert-butyl(dimethyl)silyl]oxymethyl]octanal
SMILESCCCCCC(CC=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O2Si/c1-7-8-9-10-14(11-12-16)13-17-18(5,6)15(2,3)4/h12,14H,7-11,13H2,1-6H3
InChIKeyRSPFVLVVQUGXRK-UHFFFAOYSA-N
MW272.50 g/mol
LogP4.79
Rot. Bonds9

About 3-[[tert-butyl(dimethyl)silyl]oxymethyl]octanal

3-[[tert-butyl(dimethyl)silyl]oxymethyl]octanal (PubChem CID 101239528) has the molecular formula C15H32O2Si and a molecular weight of 272.50 g/mol. Its IUPAC name is 3-[[tert-butyl(dimethyl)silyl]oxymethyl]octanal.

Molecular Properties

Compound Name3-[[tert-butyl(dimethyl)silyl]oxymethyl]octanal
PubChem CID101239528
Molecular FormulaC15H32O2Si
Molecular Weight272.50 g/mol
Exact Mass272.22
IUPAC Name3-[[tert-butyl(dimethyl)silyl]oxymethyl]octanal
SMILESCCCCCC(CC=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O2Si/c1-7-8-9-10-14(11-12-16)13-17-18(5,6)15(2,3)4/h12,14H,7-11,13H2,1-6H3
InChIKeyRSPFVLVVQUGXRK-UHFFFAOYSA-N
XLogP4.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.50
LogP ≤ 54.79
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

1-[tert-butyl(dimethyl)silyl]oxyhenicosan-2-ol
CID 168831338
(2R)-1-[tert-butyl(dimethyl)silyl]oxyundecan-2-ol
CID 11266641
3-nonyldodecanal
CID 142613821
(2S)-2-[tert-butyl(dimethyl)silyl]oxyheptanal
CID 10490533
2-bromooctoxy-tert-butyl-dimethylsilane
CID 19708690
2-[[tert-butyl(dimethyl)silyl]oxymethyl]dodecanoic acid
CID 25213691
2-[tert-butyl(dimethyl)silyl]oxytridecanal
CID 170917454
3-propylnonanal
CID 54180960
(E)-1-[tert-butyl(dimethyl)silyl]oxyundec-5-en-2-ol
CID 100961334
[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-hydroxyheptyl] undecanoate
CID 176809015
benzyl 10-[[tert-butyl(dimethyl)silyl]oxymethyl]icosanoate
CID 142613828
2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pentanal
CID 88571352

Frequently Asked Questions

What is the IUPAC name of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]octanal?
The IUPAC name of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]octanal (CID 101239528) is 3-[[tert-butyl(dimethyl)silyl]oxymethyl]octanal.
What is the SMILES notation for 3-[[tert-butyl(dimethyl)silyl]oxymethyl]octanal?
The canonical SMILES for 3-[[tert-butyl(dimethyl)silyl]oxymethyl]octanal is CCCCCC(CC=O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]octanal?
The InChIKey is RSPFVLVVQUGXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O2Si/c1-7-8-9-10-14(11-12-16)13-17-18(5,6)15(2,3)4/h12,14H,7-11,13H2,1-6H3.
What are the key properties of 3-[[tert-butyl(dimethyl)silyl]oxymethyl]octanal?
3-[[tert-butyl(dimethyl)silyl]oxymethyl]octanal has a molecular weight of 272.50 g/mol, XLogP of 4.79, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[tert-butyl(dimethyl)silyl]oxymethyl]octanal is sourced from PubChem (CID 101239528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).