(E,4S)-6-(5-oxo-2H-furan-3-yl)-4-tri(propan-2-yl)silyloxyhex-2-enal

C19H32O4Si — CID 11245118

IUPAC(E,4S)-6-(5-oxo-2H-furan-3-yl)-4-tri(propan-2-yl)silyloxyhex-2-enal
SMILESCC(C)[Si](O[C@H](/C=C/C=O)CCC1=CC(=O)OC1)(C(C)C)C(C)C
InChIInChI=1S/C19H32O4Si/c1-14(2)24(15(3)4,16(5)6)23-18(8-7-11-20)10-9-17-12-19(21)22-13-17/h7-8,11-12,14-16,18H,9-10,13H2,1-6H3/b8-7+/t18-/m1/s1
InChIKeyOUDPYWSPXSUSSV-LKGOPFMKSA-N
MW352.55 g/mol
LogP4.57
Rot. Bonds10

About (E,4S)-6-(5-oxo-2H-furan-3-yl)-4-tri(propan-2-yl)silyloxyhex-2-enal

(E,4S)-6-(5-oxo-2H-furan-3-yl)-4-tri(propan-2-yl)silyloxyhex-2-enal (PubChem CID 11245118) has the molecular formula C19H32O4Si and a molecular weight of 352.55 g/mol. Its IUPAC name is (E,4S)-6-(5-oxo-2H-furan-3-yl)-4-tri(propan-2-yl)silyloxyhex-2-enal.

Molecular Properties

Compound Name(E,4S)-6-(5-oxo-2H-furan-3-yl)-4-tri(propan-2-yl)silyloxyhex-2-enal
PubChem CID11245118
Molecular FormulaC19H32O4Si
Molecular Weight352.55 g/mol
Exact Mass352.21
IUPAC Name(E,4S)-6-(5-oxo-2H-furan-3-yl)-4-tri(propan-2-yl)silyloxyhex-2-enal
SMILESCC(C)[Si](O[C@H](/C=C/C=O)CCC1=CC(=O)OC1)(C(C)C)C(C)C
InChIInChI=1S/C19H32O4Si/c1-14(2)24(15(3)4,16(5)6)23-18(8-7-11-20)10-9-17-12-19(21)22-13-17/h7-8,11-12,14-16,18H,9-10,13H2,1-6H3/b8-7+/t18-/m1/s1
InChIKeyOUDPYWSPXSUSSV-LKGOPFMKSA-N
XLogP4.57
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.55
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (E,4S)-6-(5-oxo-2H-furan-3-yl)-4-tri(propan-2-yl)silyloxyhex-2-enal with MolForge

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Launch Full Analysis

Related Compounds

5-[4-[Tert-butyl(dimethyl)silyl]oxybutyl]-5-methoxyfuran-2-one
CID 11098627
[(2E,3S,5S)-3-acetyloxy-10-methyl-6-methylidene-2-(2-oxoethylidene)-5-triethylsilyloxyundec-9-en-7-ynyl] acetate
CID 25208644
2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-4-methyl-3-prop-2-enyl-2H-furan-5-one
CID 44817643
ethyl (E,7R,8S)-7,8-bis[[tert-butyl(dimethyl)silyl]oxy]non-2-enoate
CID 101549967
diethyl (2Z,9Z)-6-[tert-butyl(dimethyl)silyl]oxyundeca-2,9-dienedioate
CID 135073113
(3E,7S,10E,14S)-7,14-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,8-dioxacyclotetradeca-3,10-diene-2,9-dione
CID 138976732
ethyl (E)-3-[tert-butyl(dimethyl)silyl]oxy-6-(oxiran-2-yl)hex-2-enoate
CID 138984022
ethyl (2E,7S)-7-tri(propan-2-yl)silyloxynona-2,8-dienoate
CID 139252212
4-[(E)-7-[tert-butyl(dimethyl)silyl]oxyhept-1-enyl]-2-methyl-2H-furan-5-one
CID 10892707
ethyl (E,8R)-8-[tert-butyl(dimethyl)silyl]oxynon-2-enoate
CID 89996219
ethyl (E)-4-[tert-butyl(dimethyl)silyl]oxynon-2-enoate
CID 142492982
[(1R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxocyclopent-2-en-1-yl] acetate
CID 173972651

Frequently Asked Questions

What is the IUPAC name of (E,4S)-6-(5-oxo-2H-furan-3-yl)-4-tri(propan-2-yl)silyloxyhex-2-enal?
The IUPAC name of (E,4S)-6-(5-oxo-2H-furan-3-yl)-4-tri(propan-2-yl)silyloxyhex-2-enal (CID 11245118) is (E,4S)-6-(5-oxo-2H-furan-3-yl)-4-tri(propan-2-yl)silyloxyhex-2-enal.
What is the SMILES notation for (E,4S)-6-(5-oxo-2H-furan-3-yl)-4-tri(propan-2-yl)silyloxyhex-2-enal?
The canonical SMILES for (E,4S)-6-(5-oxo-2H-furan-3-yl)-4-tri(propan-2-yl)silyloxyhex-2-enal is CC(C)[Si](O[C@H](/C=C/C=O)CCC1=CC(=O)OC1)(C(C)C)C(C)C.
What is the InChIKey of (E,4S)-6-(5-oxo-2H-furan-3-yl)-4-tri(propan-2-yl)silyloxyhex-2-enal?
The InChIKey is OUDPYWSPXSUSSV-LKGOPFMKSA-N. The full InChI is InChI=1S/C19H32O4Si/c1-14(2)24(15(3)4,16(5)6)23-18(8-7-11-20)10-9-17-12-19(21)22-13-17/h7-8,11-12,14-16,18H,9-10,13H2,1-6H3/b8-7+/t18-/m1/s1.
What are the key properties of (E,4S)-6-(5-oxo-2H-furan-3-yl)-4-tri(propan-2-yl)silyloxyhex-2-enal?
(E,4S)-6-(5-oxo-2H-furan-3-yl)-4-tri(propan-2-yl)silyloxyhex-2-enal has a molecular weight of 352.55 g/mol, XLogP of 4.57, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4S)-6-(5-oxo-2H-furan-3-yl)-4-tri(propan-2-yl)silyloxyhex-2-enal is sourced from PubChem (CID 11245118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).