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

C12H24O3Si — CID 57409536

IUPAC(E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxypent-2-enal
SMILESCO[C@H](/C=C/C=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O3Si/c1-12(2,3)16(5,6)15-10-11(14-4)8-7-9-13/h7-9,11H,10H2,1-6H3/b8-7+/t11-/m1/s1
InChIKeyNTTDNQPLXIFBQG-WSKFYRRCSA-N
MW244.41 g/mol
LogP2.78
Rot. Bonds6

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

(E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxypent-2-enal (PubChem CID 57409536) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is (E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxypent-2-enal.

Molecular Properties

Compound Name(E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxypent-2-enal
PubChem CID57409536
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Name(E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxypent-2-enal
SMILESCO[C@H](/C=C/C=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O3Si/c1-12(2,3)16(5,6)15-10-11(14-4)8-7-9-13/h7-9,11H,10H2,1-6H3/b8-7+/t11-/m1/s1
InChIKeyNTTDNQPLXIFBQG-WSKFYRRCSA-N
XLogP2.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(2E,4S)-4-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-2-pentenal
CID 10512836
methyl (E)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 13838010
methyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 13838011
methyl (Z)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enoate
CID 134907379
2(5H)-Furanone, 5-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-, (S)-
CID 11042497
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2,3-dihydropyran-6-one
CID 10955748
methyl (Z,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enoate
CID 11097260
(2E,4E,6R)-8-[tert-butyl(dimethyl)silyl]oxy-6-methoxyocta-2,4-dienal
CID 11140643
methyl (2Z,5R)-5-[tert-butyl(dimethyl)silyl]oxyhepta-2,6-dienoate
CID 42599690
(4s)-(z)-4-(Triisopropylsilyl-oxy)pent-2-enal
CID 129826283
(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-2,3-dihydropyran-6-one
CID 138963360
2-Hexenoic acid, 5-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, methyl ester, (E)-(+/-)-
CID 5368148

Frequently Asked Questions

What is the IUPAC name of (E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxypent-2-enal?
The IUPAC name of (E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxypent-2-enal (CID 57409536) is (E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxypent-2-enal.
What is the SMILES notation for (E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxypent-2-enal?
The canonical SMILES for (E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxypent-2-enal is CO[C@H](/C=C/C=O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxypent-2-enal?
The InChIKey is NTTDNQPLXIFBQG-WSKFYRRCSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-12(2,3)16(5,6)15-10-11(14-4)8-7-9-13/h7-9,11H,10H2,1-6H3/b8-7+/t11-/m1/s1.
What are the key properties of (E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxypent-2-enal?
(E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxypent-2-enal has a molecular weight of 244.41 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methoxypent-2-enal is sourced from PubChem (CID 57409536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).