(E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-2-enal

C13H26O2Si — CID 101135390

IUPAC(E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-2-enal
SMILESC/C(C=O)=C\[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O2Si/c1-11(9-14)8-12(2)10-15-16(6,7)13(3,4)5/h8-9,12H,10H2,1-7H3/b11-8+/t12-/m1/s1
InChIKeyHFYIRWGBPAWDML-JATZPVMKSA-N
MW242.43 g/mol
LogP3.79
Rot. Bonds5

About (E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-2-enal

(E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-2-enal (PubChem CID 101135390) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is (E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-2-enal.

Molecular Properties

Compound Name(E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-2-enal
PubChem CID101135390
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name(E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-2-enal
SMILESC/C(C=O)=C\[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O2Si/c1-11(9-14)8-12(2)10-15-16(6,7)13(3,4)5/h8-9,12H,10H2,1-7H3/b11-8+/t12-/m1/s1
InChIKeyHFYIRWGBPAWDML-JATZPVMKSA-N
XLogP3.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.79
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2Z)-2-[2,2-di(propan-2-yl)oxasilolan-3-ylidene]acetaldehyde
CID 10910861
(2Z)-2-[2,2-di(propan-2-yl)oxasilolan-3-ylidene]propanal
CID 10911271
(E)-7-(tert-butyldimethylsiloxy)-2-methylhept-2-enal
CID 11402629
(E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enal
CID 11600961
(Z)-2-fluoro-5-(tert-butyldimethylsilyloxy)-2-pentenal
CID 20063409
2-Fluoro-5-(tert-butyldimethylsilyloxy)-2-pentenal
CID 54231229
(E)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enal
CID 88472264
(E,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-2-enal
CID 10901261
(Z,4S)-2-ethyl-4-methyl-5-triethylsilyloxypent-2-enal
CID 11172899
(Z,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enal
CID 11206942
(E,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-enal
CID 11499590
(E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-2-enal
CID 11665784

Frequently Asked Questions

What is the IUPAC name of (E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-2-enal?
The IUPAC name of (E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-2-enal (CID 101135390) is (E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-2-enal.
What is the SMILES notation for (E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-2-enal?
The canonical SMILES for (E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-2-enal is C/C(C=O)=C\[C@@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-2-enal?
The InChIKey is HFYIRWGBPAWDML-JATZPVMKSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-11(9-14)8-12(2)10-15-16(6,7)13(3,4)5/h8-9,12H,10H2,1-7H3/b11-8+/t12-/m1/s1.
What are the key properties of (E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-2-enal?
(E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-2-enal has a molecular weight of 242.43 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-2-enal is sourced from PubChem (CID 101135390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).