ethyl (2E,6E,8E,10Z)-3-methoxy-2-methyl-10-(trimethylsilylmethyl)dodeca-2,6,8,10-tetraenoate

C20H34O3Si — CID 10689241

IUPACethyl (2E,6E,8E,10Z)-3-methoxy-2-methyl-10-(trimethylsilylmethyl)dodeca-2,6,8,10-tetraenoate
SMILESC/C=C(/C=C/C=C/CC/C(OC)=C(/C)C(=O)OCC)C[Si](C)(C)C
InChIInChI=1S/C20H34O3Si/c1-8-18(16-24(5,6)7)14-12-10-11-13-15-19(22-4)17(3)20(21)23-9-2/h8,10-12,14H,9,13,15-16H2,1-7H3/b11-10+,14-12+,18-8-,19-17+
InChIKeyLCXJHNXQKKEGCR-MOHMUXAISA-N
MW350.58 g/mol
LogP5.65
Rot. Bonds10

About ethyl (2E,6E,8E,10Z)-3-methoxy-2-methyl-10-(trimethylsilylmethyl)dodeca-2,6,8,10-tetraenoate

ethyl (2E,6E,8E,10Z)-3-methoxy-2-methyl-10-(trimethylsilylmethyl)dodeca-2,6,8,10-tetraenoate (PubChem CID 10689241) has the molecular formula C20H34O3Si and a molecular weight of 350.58 g/mol. Its IUPAC name is ethyl (2E,6E,8E,10Z)-3-methoxy-2-methyl-10-(trimethylsilylmethyl)dodeca-2,6,8,10-tetraenoate.

Molecular Properties

Compound Nameethyl (2E,6E,8E,10Z)-3-methoxy-2-methyl-10-(trimethylsilylmethyl)dodeca-2,6,8,10-tetraenoate
PubChem CID10689241
Molecular FormulaC20H34O3Si
Molecular Weight350.58 g/mol
Exact Mass350.23
IUPAC Nameethyl (2E,6E,8E,10Z)-3-methoxy-2-methyl-10-(trimethylsilylmethyl)dodeca-2,6,8,10-tetraenoate
SMILESC/C=C(/C=C/C=C/CC/C(OC)=C(/C)C(=O)OCC)C[Si](C)(C)C
InChIInChI=1S/C20H34O3Si/c1-8-18(16-24(5,6)7)14-12-10-11-13-15-19(22-4)17(3)20(21)23-9-2/h8,10-12,14H,9,13,15-16H2,1-7H3/b11-10+,14-12+,18-8-,19-17+
InChIKeyLCXJHNXQKKEGCR-MOHMUXAISA-N
XLogP5.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.58
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze ethyl (2E,6E,8E,10Z)-3-methoxy-2-methyl-10-(trimethylsilylmethyl)dodeca-2,6,8,10-tetraenoate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl (2E,4E)-9-[tert-butyl(dimethyl)silyl]oxy-4-methylnona-2,4-dienoate
CID 11824407
ethyl (E)-3-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopyran-3-yl]prop-2-enoate
CID 11244662
ethyl (2E)-2-[(2E,7E,11E)-4-[tert-butyl(dimethyl)silyl]oxy-4,8,12-trimethylcyclotetradeca-2,7,11-trien-1-ylidene]acetate
CID 12000508
[(3Z,5E)-1-[tert-butyl(dimethyl)silyl]oxynona-3,5-dien-4-yl] 2,2-dimethylpropanoate
CID 24850677
ethyl (2E)-2-(3-prop-1-en-2-yl-5-trimethylsilylcyclohepta-2,4-dien-1-ylidene)acetate
CID 42636867
methyl (2E,4E,6E,8E,10E)-13-[tert-butyl(dimethyl)silyl]oxy-2-methyltrideca-2,4,6,8,10-pentaenoate
CID 101181430
methyl (2E,3E,5E,9E)-11-[tert-butyl(dimethyl)silyl]oxy-2-ethylidene-4,10-dimethylundeca-3,5,9-trienoate
CID 102385619
(13s,2e,4e,9e,11e)-Ethyl 13-t-butyldimethylsilyloxy-2,4,9,11-tetradecatetraenoate
CID 129706195
ethyl (2E,4E,6E,8E,10E)-3-methyl-13-tri(propan-2-yl)silyloxytrideca-2,4,6,8,10-pentaenoate
CID 134903462
ethyl (2Z)-2-[(2E,7E,11E)-4-[tert-butyl(dimethyl)silyl]oxy-4,8,12-trimethylcyclotetradeca-2,7,11-trien-1-ylidene]acetate
CID 135037463
(3E,5Z)-3-methyl-5-prop-2-enoxy-7,7-bis(triethylsilyl)hepta-3,5-dien-2-one
CID 135062069
ethyl (2E,4Z)-4-(2-methylidenebutoxy)-6,6-bis(triethylsilyl)hexa-2,4-dienoate
CID 135062670

Frequently Asked Questions

What is the IUPAC name of ethyl (2E,6E,8E,10Z)-3-methoxy-2-methyl-10-(trimethylsilylmethyl)dodeca-2,6,8,10-tetraenoate?
The IUPAC name of ethyl (2E,6E,8E,10Z)-3-methoxy-2-methyl-10-(trimethylsilylmethyl)dodeca-2,6,8,10-tetraenoate (CID 10689241) is ethyl (2E,6E,8E,10Z)-3-methoxy-2-methyl-10-(trimethylsilylmethyl)dodeca-2,6,8,10-tetraenoate.
What is the SMILES notation for ethyl (2E,6E,8E,10Z)-3-methoxy-2-methyl-10-(trimethylsilylmethyl)dodeca-2,6,8,10-tetraenoate?
The canonical SMILES for ethyl (2E,6E,8E,10Z)-3-methoxy-2-methyl-10-(trimethylsilylmethyl)dodeca-2,6,8,10-tetraenoate is C/C=C(/C=C/C=C/CC/C(OC)=C(/C)C(=O)OCC)C[Si](C)(C)C.
What is the InChIKey of ethyl (2E,6E,8E,10Z)-3-methoxy-2-methyl-10-(trimethylsilylmethyl)dodeca-2,6,8,10-tetraenoate?
The InChIKey is LCXJHNXQKKEGCR-MOHMUXAISA-N. The full InChI is InChI=1S/C20H34O3Si/c1-8-18(16-24(5,6)7)14-12-10-11-13-15-19(22-4)17(3)20(21)23-9-2/h8,10-12,14H,9,13,15-16H2,1-7H3/b11-10+,14-12+,18-8-,19-17+.
What are the key properties of ethyl (2E,6E,8E,10Z)-3-methoxy-2-methyl-10-(trimethylsilylmethyl)dodeca-2,6,8,10-tetraenoate?
ethyl (2E,6E,8E,10Z)-3-methoxy-2-methyl-10-(trimethylsilylmethyl)dodeca-2,6,8,10-tetraenoate has a molecular weight of 350.58 g/mol, XLogP of 5.65, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E,6E,8E,10Z)-3-methoxy-2-methyl-10-(trimethylsilylmethyl)dodeca-2,6,8,10-tetraenoate is sourced from PubChem (CID 10689241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).