(2E,4E)-6-[(Z)-3-methyl-5-oxo-5-(2-trimethylsilylethoxy)pent-3-enoxy]-6-oxohexa-2,4-dienoic acid

C17H26O6Si — CID 6443074

IUPAC(2E,4E)-6-[(Z)-3-methyl-5-oxo-5-(2-trimethylsilylethoxy)pent-3-enoxy]-6-oxohexa-2,4-dienoic acid
SMILESC/C(=C/C(=O)OCC[Si](C)(C)C)CCOC(=O)/C=C/C=C/C(=O)O
InChIInChI=1S/C17H26O6Si/c1-14(13-17(21)23-11-12-24(2,3)4)9-10-22-16(20)8-6-5-7-15(18)19/h5-8,13H,9-12H2,1-4H3,(H,18,19)/b7-5+,8-6+,14-13-
InChIKeyATWJLFATCCLNIU-LBPZLPHVSA-N
MW354.48 g/mol
LogP2.94
Rot. Bonds10

About (2E,4E)-6-[(Z)-3-methyl-5-oxo-5-(2-trimethylsilylethoxy)pent-3-enoxy]-6-oxohexa-2,4-dienoic acid

(2E,4E)-6-[(Z)-3-methyl-5-oxo-5-(2-trimethylsilylethoxy)pent-3-enoxy]-6-oxohexa-2,4-dienoic acid (PubChem CID 6443074) has the molecular formula C17H26O6Si and a molecular weight of 354.48 g/mol. Its IUPAC name is (2E,4E)-6-[(Z)-3-methyl-5-oxo-5-(2-trimethylsilylethoxy)pent-3-enoxy]-6-oxohexa-2,4-dienoic acid.

Molecular Properties

Compound Name(2E,4E)-6-[(Z)-3-methyl-5-oxo-5-(2-trimethylsilylethoxy)pent-3-enoxy]-6-oxohexa-2,4-dienoic acid
PubChem CID6443074
Molecular FormulaC17H26O6Si
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC Name(2E,4E)-6-[(Z)-3-methyl-5-oxo-5-(2-trimethylsilylethoxy)pent-3-enoxy]-6-oxohexa-2,4-dienoic acid
SMILESC/C(=C/C(=O)OCC[Si](C)(C)C)CCOC(=O)/C=C/C=C/C(=O)O
InChIInChI=1S/C17H26O6Si/c1-14(13-17(21)23-11-12-24(2,3)4)9-10-22-16(20)8-6-5-7-15(18)19/h5-8,13H,9-12H2,1-4H3,(H,18,19)/b7-5+,8-6+,14-13-
InChIKeyATWJLFATCCLNIU-LBPZLPHVSA-N
XLogP2.94
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-6-[(Z)-3-methyl-5-oxo-5-(2-trimethylsilylethoxy)pent-3-enoxy]-6-oxohexa-2,4-dienoic acid?
The IUPAC name of (2E,4E)-6-[(Z)-3-methyl-5-oxo-5-(2-trimethylsilylethoxy)pent-3-enoxy]-6-oxohexa-2,4-dienoic acid (CID 6443074) is (2E,4E)-6-[(Z)-3-methyl-5-oxo-5-(2-trimethylsilylethoxy)pent-3-enoxy]-6-oxohexa-2,4-dienoic acid.
What is the SMILES notation for (2E,4E)-6-[(Z)-3-methyl-5-oxo-5-(2-trimethylsilylethoxy)pent-3-enoxy]-6-oxohexa-2,4-dienoic acid?
The canonical SMILES for (2E,4E)-6-[(Z)-3-methyl-5-oxo-5-(2-trimethylsilylethoxy)pent-3-enoxy]-6-oxohexa-2,4-dienoic acid is C/C(=C/C(=O)OCC[Si](C)(C)C)CCOC(=O)/C=C/C=C/C(=O)O.
What is the InChIKey of (2E,4E)-6-[(Z)-3-methyl-5-oxo-5-(2-trimethylsilylethoxy)pent-3-enoxy]-6-oxohexa-2,4-dienoic acid?
The InChIKey is ATWJLFATCCLNIU-LBPZLPHVSA-N. The full InChI is InChI=1S/C17H26O6Si/c1-14(13-17(21)23-11-12-24(2,3)4)9-10-22-16(20)8-6-5-7-15(18)19/h5-8,13H,9-12H2,1-4H3,(H,18,19)/b7-5+,8-6+,14-13-.
What are the key properties of (2E,4E)-6-[(Z)-3-methyl-5-oxo-5-(2-trimethylsilylethoxy)pent-3-enoxy]-6-oxohexa-2,4-dienoic acid?
(2E,4E)-6-[(Z)-3-methyl-5-oxo-5-(2-trimethylsilylethoxy)pent-3-enoxy]-6-oxohexa-2,4-dienoic acid has a molecular weight of 354.48 g/mol, XLogP of 2.94, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-6-[(Z)-3-methyl-5-oxo-5-(2-trimethylsilylethoxy)pent-3-enoxy]-6-oxohexa-2,4-dienoic acid is sourced from PubChem (CID 6443074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).