2,2-dimethyl-3-tri(propan-2-yl)silyloxypropanal

C14H30O2Si — CID 11459587

IUPAC2,2-dimethyl-3-tri(propan-2-yl)silyloxypropanal
SMILESCC(C)[Si](OCC(C)(C)C=O)(C(C)C)C(C)C
InChIInChI=1S/C14H30O2Si/c1-11(2)17(12(3)4,13(5)6)16-10-14(7,8)9-15/h9,11-13H,10H2,1-8H3
InChIKeyHDNLXYJNNSNMGE-UHFFFAOYSA-N
MW258.48 g/mol
LogP4.40
Rot. Bonds7

About 2,2-dimethyl-3-tri(propan-2-yl)silyloxypropanal

2,2-dimethyl-3-tri(propan-2-yl)silyloxypropanal (PubChem CID 11459587) has the molecular formula C14H30O2Si and a molecular weight of 258.48 g/mol. Its IUPAC name is 2,2-dimethyl-3-tri(propan-2-yl)silyloxypropanal.

Molecular Properties

Compound Name2,2-dimethyl-3-tri(propan-2-yl)silyloxypropanal
PubChem CID11459587
Molecular FormulaC14H30O2Si
Molecular Weight258.48 g/mol
Exact Mass258.20
IUPAC Name2,2-dimethyl-3-tri(propan-2-yl)silyloxypropanal
SMILESCC(C)[Si](OCC(C)(C)C=O)(C(C)C)C(C)C
InChIInChI=1S/C14H30O2Si/c1-11(2)17(12(3)4,13(5)6)16-10-14(7,8)9-15/h9,11-13H,10H2,1-8H3
InChIKeyHDNLXYJNNSNMGE-UHFFFAOYSA-N
XLogP4.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.48
LogP ≤ 54.40
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'}

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Related Compounds

3-((Tert-butyldimethylsilyl)oxy)propanal
CID 3662392
3-((Tert-butyldimethylsilyl)oxy)-2,2-dimethylpropanal
CID 10656375
3-((Tert-butyldimethylsilyl)oxy)-2-methylpropanal
CID 11041832
3-[(Tert-butyldimethylsilyl)oxy]-3-methylbutanal
CID 101526187
1-(((Tert-butyldimethylsilyl)oxy)methyl)cyclopropane-1-carbaldehyde
CID 86614562
3-[(Tert-butyldimethylsilyl)oxy]butanal
CID 568258
(S)-(+)-3-(t-butyldimethylsilyloxy)-2-methylpropanal
CID 10241965
(S)-3-t-Butyldimethylsilyloxybutanal
CID 10867393
3-{[(Tert-butyldimethylsilyl)oxy]methyl}oxetane-3-carbaldehyde
CID 167739162
(2R)-3-[(tert-butyldimethylsilyl)oxy]-2-methylpropanal
CID 10965592
3-Tri(propan-2-yl)silyloxypropanal
CID 11020705
Butanal, 3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, (R)-
CID 11117121

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-tri(propan-2-yl)silyloxypropanal?
The IUPAC name of 2,2-dimethyl-3-tri(propan-2-yl)silyloxypropanal (CID 11459587) is 2,2-dimethyl-3-tri(propan-2-yl)silyloxypropanal.
What is the SMILES notation for 2,2-dimethyl-3-tri(propan-2-yl)silyloxypropanal?
The canonical SMILES for 2,2-dimethyl-3-tri(propan-2-yl)silyloxypropanal is CC(C)[Si](OCC(C)(C)C=O)(C(C)C)C(C)C.
What is the InChIKey of 2,2-dimethyl-3-tri(propan-2-yl)silyloxypropanal?
The InChIKey is HDNLXYJNNSNMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2Si/c1-11(2)17(12(3)4,13(5)6)16-10-14(7,8)9-15/h9,11-13H,10H2,1-8H3.
What are the key properties of 2,2-dimethyl-3-tri(propan-2-yl)silyloxypropanal?
2,2-dimethyl-3-tri(propan-2-yl)silyloxypropanal has a molecular weight of 258.48 g/mol, XLogP of 4.40, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-tri(propan-2-yl)silyloxypropanal is sourced from PubChem (CID 11459587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).