(E,2S,3R)-2-propan-2-yl-3-triethylsilyloxyhex-4-enal

C15H30O2Si — CID 44516074

IUPAC(E,2S,3R)-2-propan-2-yl-3-triethylsilyloxyhex-4-enal
SMILESC/C=C/[C@@H](O[Si](CC)(CC)CC)[C@@H](C=O)C(C)C
InChIInChI=1S/C15H30O2Si/c1-7-11-15(14(12-16)13(5)6)17-18(8-2,9-3)10-4/h7,11-15H,8-10H2,1-6H3/b11-7+/t14-,15+/m0/s1
InChIKeyHBCVZJJCTNGFFQ-PFYGFVOHSA-N
MW270.49 g/mol
LogP4.42
Rot. Bonds9

About (E,2S,3R)-2-propan-2-yl-3-triethylsilyloxyhex-4-enal

(E,2S,3R)-2-propan-2-yl-3-triethylsilyloxyhex-4-enal (PubChem CID 44516074) has the molecular formula C15H30O2Si and a molecular weight of 270.49 g/mol. Its IUPAC name is (E,2S,3R)-2-propan-2-yl-3-triethylsilyloxyhex-4-enal.

Molecular Properties

Compound Name(E,2S,3R)-2-propan-2-yl-3-triethylsilyloxyhex-4-enal
PubChem CID44516074
Molecular FormulaC15H30O2Si
Molecular Weight270.49 g/mol
Exact Mass270.20
IUPAC Name(E,2S,3R)-2-propan-2-yl-3-triethylsilyloxyhex-4-enal
SMILESC/C=C/[C@@H](O[Si](CC)(CC)CC)[C@@H](C=O)C(C)C
InChIInChI=1S/C15H30O2Si/c1-7-11-15(14(12-16)13(5)6)17-18(8-2,9-3)10-4/h7,11-15H,8-10H2,1-6H3/b11-7+/t14-,15+/m0/s1
InChIKeyHBCVZJJCTNGFFQ-PFYGFVOHSA-N
XLogP4.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 54.42
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-Hexenal, 3-(t-butyldimethylsilyloxy)-
CID 5366923
(E,3R)-3-[tert-butyl(dimethyl)silyl]oxyhex-4-enal
CID 11138911
(E,2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-4-enal
CID 11470861
(E,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-5-enal
CID 88194273
(E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-4-enal
CID 134967433
(E,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-4-enal
CID 11149545
(E,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-4-enal
CID 11345885
(E,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-4-enal
CID 11402630
(E,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-4-enal
CID 11184104
(E,2R,3S)-2-propan-2-yl-3-triethylsilyloxyhex-4-enal
CID 25022821
(4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclopent-2-en-1-one
CID 91999208
(E,4R)-4-[tert-butyl(dimethyl)silyl]oxyhept-5-en-2-one
CID 134889837

Frequently Asked Questions

What is the IUPAC name of (E,2S,3R)-2-propan-2-yl-3-triethylsilyloxyhex-4-enal?
The IUPAC name of (E,2S,3R)-2-propan-2-yl-3-triethylsilyloxyhex-4-enal (CID 44516074) is (E,2S,3R)-2-propan-2-yl-3-triethylsilyloxyhex-4-enal.
What is the SMILES notation for (E,2S,3R)-2-propan-2-yl-3-triethylsilyloxyhex-4-enal?
The canonical SMILES for (E,2S,3R)-2-propan-2-yl-3-triethylsilyloxyhex-4-enal is C/C=C/[C@@H](O[Si](CC)(CC)CC)[C@@H](C=O)C(C)C.
What is the InChIKey of (E,2S,3R)-2-propan-2-yl-3-triethylsilyloxyhex-4-enal?
The InChIKey is HBCVZJJCTNGFFQ-PFYGFVOHSA-N. The full InChI is InChI=1S/C15H30O2Si/c1-7-11-15(14(12-16)13(5)6)17-18(8-2,9-3)10-4/h7,11-15H,8-10H2,1-6H3/b11-7+/t14-,15+/m0/s1.
What are the key properties of (E,2S,3R)-2-propan-2-yl-3-triethylsilyloxyhex-4-enal?
(E,2S,3R)-2-propan-2-yl-3-triethylsilyloxyhex-4-enal has a molecular weight of 270.49 g/mol, XLogP of 4.42, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S,3R)-2-propan-2-yl-3-triethylsilyloxyhex-4-enal is sourced from PubChem (CID 44516074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).