(2S)-3-methyl-2-tri(propan-2-yl)silyloxybutanal

C14H30O2Si — CID 11737026

IUPAC(2S)-3-methyl-2-tri(propan-2-yl)silyloxybutanal
SMILESCC(C)[C@@H](C=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C14H30O2Si/c1-10(2)14(9-15)16-17(11(3)4,12(5)6)13(7)8/h9-14H,1-8H3/t14-/m1/s1
InChIKeyGHMUEERLTRPXOV-CQSZACIVSA-N
MW258.48 g/mol
LogP4.40
Rot. Bonds7

About (2S)-3-methyl-2-tri(propan-2-yl)silyloxybutanal

(2S)-3-methyl-2-tri(propan-2-yl)silyloxybutanal (PubChem CID 11737026) has the molecular formula C14H30O2Si and a molecular weight of 258.48 g/mol. Its IUPAC name is (2S)-3-methyl-2-tri(propan-2-yl)silyloxybutanal.

Molecular Properties

Compound Name(2S)-3-methyl-2-tri(propan-2-yl)silyloxybutanal
PubChem CID11737026
Molecular FormulaC14H30O2Si
Molecular Weight258.48 g/mol
Exact Mass258.20
IUPAC Name(2S)-3-methyl-2-tri(propan-2-yl)silyloxybutanal
SMILESCC(C)[C@@H](C=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C14H30O2Si/c1-10(2)14(9-15)16-17(11(3)4,12(5)6)13(7)8/h9-14H,1-8H3/t14-/m1/s1
InChIKeyGHMUEERLTRPXOV-CQSZACIVSA-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

(2S)-2-tri(propan-2-yl)silyloxypropanal
CID 11075239
(2S,3S)-3,4,4-trimethyl-2-tri(propan-2-yl)silylperoxypentanal
CID 134974022
3-tri(propan-2-yl)silyloxybutanal
CID 46210548
(2R)-2-ethoxy-3-methylbutanal
CID 124526091
3-methyl-2-(2-oxoethoxy)butanal
CID 88894798
1-tri(propan-2-yl)silyloxyethanol
CID 87610616
(2S,3S,4S,5R)-2,4-dimethyl-3-trimethylsilyloxy-5-tri(propan-2-yl)silyloxyoctanal
CID 134930905
(3R)-3-tri(propan-2-yl)silyloxyhexadecanal
CID 16741866
(3S)-3-tri(propan-2-yl)silyloxybutan-2-one
CID 157456186
bis[tri(propan-2-yl)silyl] but-2-enedioate
CID 123991340
(Z)-4-oxo-4-tri(propan-2-yl)silyloxybut-2-enoic acid
CID 167577175
(2S)-2-tri(propan-2-yl)silyloxyhex-5-en-3-ol;(2S)-2-tri(propan-2-yl)silyloxypropanal
CID 163884444

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-tri(propan-2-yl)silyloxybutanal?
The IUPAC name of (2S)-3-methyl-2-tri(propan-2-yl)silyloxybutanal (CID 11737026) is (2S)-3-methyl-2-tri(propan-2-yl)silyloxybutanal.
What is the SMILES notation for (2S)-3-methyl-2-tri(propan-2-yl)silyloxybutanal?
The canonical SMILES for (2S)-3-methyl-2-tri(propan-2-yl)silyloxybutanal is CC(C)[C@@H](C=O)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (2S)-3-methyl-2-tri(propan-2-yl)silyloxybutanal?
The InChIKey is GHMUEERLTRPXOV-CQSZACIVSA-N. The full InChI is InChI=1S/C14H30O2Si/c1-10(2)14(9-15)16-17(11(3)4,12(5)6)13(7)8/h9-14H,1-8H3/t14-/m1/s1.
What are the key properties of (2S)-3-methyl-2-tri(propan-2-yl)silyloxybutanal?
(2S)-3-methyl-2-tri(propan-2-yl)silyloxybutanal 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 (2S)-3-methyl-2-tri(propan-2-yl)silyloxybutanal is sourced from PubChem (CID 11737026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).