(2S)-2-[[dimethyl(2-methylpentan-2-yl)silyl]oxymethyl]-3-methylbutanal

C14H30O2Si — CID 54221929

IUPAC(2S)-2-[[dimethyl(2-methylpentan-2-yl)silyl]oxymethyl]-3-methylbutanal
SMILESCCCC(C)(C)[Si](C)(C)OC[C@@H](C=O)C(C)C
InChIInChI=1S/C14H30O2Si/c1-8-9-14(4,5)17(6,7)16-11-13(10-15)12(2)3/h10,12-13H,8-9,11H2,1-7H3/t13-/m1/s1
InChIKeyQDFBPCZIHNNGEV-CYBMUJFWSA-N
MW258.48 g/mol
LogP4.26
Rot. Bonds8

About (2S)-2-[[dimethyl(2-methylpentan-2-yl)silyl]oxymethyl]-3-methylbutanal

(2S)-2-[[dimethyl(2-methylpentan-2-yl)silyl]oxymethyl]-3-methylbutanal (PubChem CID 54221929) has the molecular formula C14H30O2Si and a molecular weight of 258.48 g/mol. Its IUPAC name is (2S)-2-[[dimethyl(2-methylpentan-2-yl)silyl]oxymethyl]-3-methylbutanal.

Molecular Properties

Compound Name(2S)-2-[[dimethyl(2-methylpentan-2-yl)silyl]oxymethyl]-3-methylbutanal
PubChem CID54221929
Molecular FormulaC14H30O2Si
Molecular Weight258.48 g/mol
Exact Mass258.20
IUPAC Name(2S)-2-[[dimethyl(2-methylpentan-2-yl)silyl]oxymethyl]-3-methylbutanal
SMILESCCCC(C)(C)[Si](C)(C)OC[C@@H](C=O)C(C)C
InChIInChI=1S/C14H30O2Si/c1-8-9-14(4,5)17(6,7)16-11-13(10-15)12(2)3/h10,12-13H,8-9,11H2,1-7H3/t13-/m1/s1
InChIKeyQDFBPCZIHNNGEV-CYBMUJFWSA-N
XLogP4.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.48
LogP ≤ 54.26
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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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[dimethyl(2-methylpentan-2-yl)silyl]oxymethyl]-3-methylbutanal?
The IUPAC name of (2S)-2-[[dimethyl(2-methylpentan-2-yl)silyl]oxymethyl]-3-methylbutanal (CID 54221929) is (2S)-2-[[dimethyl(2-methylpentan-2-yl)silyl]oxymethyl]-3-methylbutanal.
What is the SMILES notation for (2S)-2-[[dimethyl(2-methylpentan-2-yl)silyl]oxymethyl]-3-methylbutanal?
The canonical SMILES for (2S)-2-[[dimethyl(2-methylpentan-2-yl)silyl]oxymethyl]-3-methylbutanal is CCCC(C)(C)[Si](C)(C)OC[C@@H](C=O)C(C)C.
What is the InChIKey of (2S)-2-[[dimethyl(2-methylpentan-2-yl)silyl]oxymethyl]-3-methylbutanal?
The InChIKey is QDFBPCZIHNNGEV-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H30O2Si/c1-8-9-14(4,5)17(6,7)16-11-13(10-15)12(2)3/h10,12-13H,8-9,11H2,1-7H3/t13-/m1/s1.
What are the key properties of (2S)-2-[[dimethyl(2-methylpentan-2-yl)silyl]oxymethyl]-3-methylbutanal?
(2S)-2-[[dimethyl(2-methylpentan-2-yl)silyl]oxymethyl]-3-methylbutanal has a molecular weight of 258.48 g/mol, XLogP of 4.26, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[dimethyl(2-methylpentan-2-yl)silyl]oxymethyl]-3-methylbutanal is sourced from PubChem (CID 54221929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).