methyl (2Z,6E)-7,11-dimethyl-10-oxo-12-phenylmethoxy-3-(trimethylsilylmethyl)dodeca-2,6-dienoate

C26H40O4Si — CID 10670978

IUPACmethyl (2Z,6E)-7,11-dimethyl-10-oxo-12-phenylmethoxy-3-(trimethylsilylmethyl)dodeca-2,6-dienoate
SMILESCOC(=O)/C=C(/CC/C=C(\C)CCC(=O)C(C)COCc1ccccc1)C[Si](C)(C)C
InChIInChI=1S/C26H40O4Si/c1-21(11-10-14-24(17-26(28)29-3)20-31(4,5)6)15-16-25(27)22(2)18-30-19-23-12-8-7-9-13-23/h7-9,11-13,17,22H,10,14-16,18-20H2,1-6H3/b21-11+,24-17-
InChIKeyCZSGXPXXOUMSGO-RZZQPQBMSA-N
MW444.69 g/mol
LogP6.35
Rot. Bonds14

About methyl (2Z,6E)-7,11-dimethyl-10-oxo-12-phenylmethoxy-3-(trimethylsilylmethyl)dodeca-2,6-dienoate

methyl (2Z,6E)-7,11-dimethyl-10-oxo-12-phenylmethoxy-3-(trimethylsilylmethyl)dodeca-2,6-dienoate (PubChem CID 10670978) has the molecular formula C26H40O4Si and a molecular weight of 444.69 g/mol. Its IUPAC name is methyl (2Z,6E)-7,11-dimethyl-10-oxo-12-phenylmethoxy-3-(trimethylsilylmethyl)dodeca-2,6-dienoate.

Molecular Properties

Compound Namemethyl (2Z,6E)-7,11-dimethyl-10-oxo-12-phenylmethoxy-3-(trimethylsilylmethyl)dodeca-2,6-dienoate
PubChem CID10670978
Molecular FormulaC26H40O4Si
Molecular Weight444.69 g/mol
Exact Mass444.27
IUPAC Namemethyl (2Z,6E)-7,11-dimethyl-10-oxo-12-phenylmethoxy-3-(trimethylsilylmethyl)dodeca-2,6-dienoate
SMILESCOC(=O)/C=C(/CC/C=C(\C)CCC(=O)C(C)COCc1ccccc1)C[Si](C)(C)C
InChIInChI=1S/C26H40O4Si/c1-21(11-10-14-24(17-26(28)29-3)20-31(4,5)6)15-16-25(27)22(2)18-30-19-23-12-8-7-9-13-23/h7-9,11-13,17,22H,10,14-16,18-20H2,1-6H3/b21-11+,24-17-
InChIKeyCZSGXPXXOUMSGO-RZZQPQBMSA-N
XLogP6.35
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.69
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (2Z,6E)-7,11-dimethyl-10-oxo-12-phenylmethoxy-3-(trimethylsilylmethyl)dodeca-2,6-dienoate with MolForge

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Related Compounds

methyl (2E,6E)-3,7-dimethyl-9-[(2S,3S)-3-methyl-3-(phenylmethoxymethyl)oxiran-2-yl]nona-2,6-dienoate
CID 101004450
[(2S,5S)-2,5-dimethyl-4-oxo-6-phenylmethoxyhexyl] acetate
CID 10039995
(3S)-4-[(4-methoxyphenyl)methoxy]-3-methyl-1-phenylmethoxybutan-2-one
CID 10860440
methyl 2-(2-methylpropanoylamino)-3-phenylmethoxypropanoate
CID 23559272
(2R)-2-methyl-1-phenyl-3-phenylmethoxypropan-1-one
CID 12630921
(2E,6E)-2,6-dimethyl-8-phenylmethoxyocta-2,6-dienoic acid
CID 66896956
2-anilino-3-phenylmethoxypropanoic acid
CID 154530203
dimethyl (2E,6Z,9S,10Z,14E,19R)-19-chloro-11-cyano-15-methyl-18-oxo-9-phenylmethoxy-7-(phenylmethoxymethyl)icosa-2,6,10,14-tetraenedioate
CID 132570435
(2E,6E,10E)-2,6,10-trimethyl-12-phenylmethoxydodeca-2,6,10-trien-1-ol
CID 11163277
[(2S)-3-hydroxy-2-methylpropyl] (2R)-2-methyl-3-phenylmethoxypropanoate
CID 10264907
methyl (E,4S,5S,6S)-4,5-dihydroxy-6-methyl-7-phenylmethoxyhept-2-enoate
CID 72723656
methyl 3-ethyl-5-phenylpent-2-enoate
CID 71347838

Frequently Asked Questions

What is the IUPAC name of methyl (2Z,6E)-7,11-dimethyl-10-oxo-12-phenylmethoxy-3-(trimethylsilylmethyl)dodeca-2,6-dienoate?
The IUPAC name of methyl (2Z,6E)-7,11-dimethyl-10-oxo-12-phenylmethoxy-3-(trimethylsilylmethyl)dodeca-2,6-dienoate (CID 10670978) is methyl (2Z,6E)-7,11-dimethyl-10-oxo-12-phenylmethoxy-3-(trimethylsilylmethyl)dodeca-2,6-dienoate.
What is the SMILES notation for methyl (2Z,6E)-7,11-dimethyl-10-oxo-12-phenylmethoxy-3-(trimethylsilylmethyl)dodeca-2,6-dienoate?
The canonical SMILES for methyl (2Z,6E)-7,11-dimethyl-10-oxo-12-phenylmethoxy-3-(trimethylsilylmethyl)dodeca-2,6-dienoate is COC(=O)/C=C(/CC/C=C(\C)CCC(=O)C(C)COCc1ccccc1)C[Si](C)(C)C.
What is the InChIKey of methyl (2Z,6E)-7,11-dimethyl-10-oxo-12-phenylmethoxy-3-(trimethylsilylmethyl)dodeca-2,6-dienoate?
The InChIKey is CZSGXPXXOUMSGO-RZZQPQBMSA-N. The full InChI is InChI=1S/C26H40O4Si/c1-21(11-10-14-24(17-26(28)29-3)20-31(4,5)6)15-16-25(27)22(2)18-30-19-23-12-8-7-9-13-23/h7-9,11-13,17,22H,10,14-16,18-20H2,1-6H3/b21-11+,24-17-.
What are the key properties of methyl (2Z,6E)-7,11-dimethyl-10-oxo-12-phenylmethoxy-3-(trimethylsilylmethyl)dodeca-2,6-dienoate?
methyl (2Z,6E)-7,11-dimethyl-10-oxo-12-phenylmethoxy-3-(trimethylsilylmethyl)dodeca-2,6-dienoate has a molecular weight of 444.69 g/mol, XLogP of 6.35, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z,6E)-7,11-dimethyl-10-oxo-12-phenylmethoxy-3-(trimethylsilylmethyl)dodeca-2,6-dienoate is sourced from PubChem (CID 10670978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).