(Z,4S)-2-ethyl-4-methyl-5-triethylsilyloxypent-2-enal

C14H28O2Si — CID 11172899

IUPAC(Z,4S)-2-ethyl-4-methyl-5-triethylsilyloxypent-2-enal
SMILESCC/C(C=O)=C/[C@H](C)CO[Si](CC)(CC)CC
InChIInChI=1S/C14H28O2Si/c1-6-14(11-15)10-13(5)12-16-17(7-2,8-3)9-4/h10-11,13H,6-9,12H2,1-5H3/b14-10-/t13-/m0/s1
InChIKeyJKEABHJJXJILIP-ODUNQGDFSA-N
MW256.46 g/mol
LogP4.18
Rot. Bonds9

About (Z,4S)-2-ethyl-4-methyl-5-triethylsilyloxypent-2-enal

(Z,4S)-2-ethyl-4-methyl-5-triethylsilyloxypent-2-enal (PubChem CID 11172899) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is (Z,4S)-2-ethyl-4-methyl-5-triethylsilyloxypent-2-enal.

Molecular Properties

Compound Name(Z,4S)-2-ethyl-4-methyl-5-triethylsilyloxypent-2-enal
PubChem CID11172899
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Name(Z,4S)-2-ethyl-4-methyl-5-triethylsilyloxypent-2-enal
SMILESCC/C(C=O)=C/[C@H](C)CO[Si](CC)(CC)CC
InChIInChI=1S/C14H28O2Si/c1-6-14(11-15)10-13(5)12-16-17(7-2,8-3)9-4/h10-11,13H,6-9,12H2,1-5H3/b14-10-/t13-/m0/s1
InChIKeyJKEABHJJXJILIP-ODUNQGDFSA-N
XLogP4.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 54.18
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'}

Analyze (Z,4S)-2-ethyl-4-methyl-5-triethylsilyloxypent-2-enal with MolForge

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Related Compounds

(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
(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
(2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienal
CID 11715676
(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-2-enal
CID 14808077
(E,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-2-enal
CID 71499523
(E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-2-enal
CID 101135390

Frequently Asked Questions

What is the IUPAC name of (Z,4S)-2-ethyl-4-methyl-5-triethylsilyloxypent-2-enal?
The IUPAC name of (Z,4S)-2-ethyl-4-methyl-5-triethylsilyloxypent-2-enal (CID 11172899) is (Z,4S)-2-ethyl-4-methyl-5-triethylsilyloxypent-2-enal.
What is the SMILES notation for (Z,4S)-2-ethyl-4-methyl-5-triethylsilyloxypent-2-enal?
The canonical SMILES for (Z,4S)-2-ethyl-4-methyl-5-triethylsilyloxypent-2-enal is CC/C(C=O)=C/[C@H](C)CO[Si](CC)(CC)CC.
What is the InChIKey of (Z,4S)-2-ethyl-4-methyl-5-triethylsilyloxypent-2-enal?
The InChIKey is JKEABHJJXJILIP-ODUNQGDFSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-6-14(11-15)10-13(5)12-16-17(7-2,8-3)9-4/h10-11,13H,6-9,12H2,1-5H3/b14-10-/t13-/m0/s1.
What are the key properties of (Z,4S)-2-ethyl-4-methyl-5-triethylsilyloxypent-2-enal?
(Z,4S)-2-ethyl-4-methyl-5-triethylsilyloxypent-2-enal has a molecular weight of 256.46 g/mol, XLogP of 4.18, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4S)-2-ethyl-4-methyl-5-triethylsilyloxypent-2-enal is sourced from PubChem (CID 11172899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).