methyl (2E,4E,6Z,8E)-10-(oxan-2-yloxy)-6-trimethylsilyldeca-2,4,6,8-tetraenoate

C19H30O4Si — CID 177400005

IUPACmethyl (2E,4E,6Z,8E)-10-(oxan-2-yloxy)-6-trimethylsilyldeca-2,4,6,8-tetraenoate
SMILESCOC(=O)/C=C/C=C/C(=C/C=C/COC1CCCCO1)[Si](C)(C)C
InChIInChI=1S/C19H30O4Si/c1-21-18(20)13-6-5-11-17(24(2,3)4)12-7-9-15-22-19-14-8-10-16-23-19/h5-7,9,11-13,19H,8,10,14-16H2,1-4H3/b9-7+,11-5+,13-6+,17-12-
InChIKeyUCFUHMFDKKAGFV-VFGZKERDSA-N
MW350.53 g/mol
LogP4.18
Rot. Bonds8

About methyl (2E,4E,6Z,8E)-10-(oxan-2-yloxy)-6-trimethylsilyldeca-2,4,6,8-tetraenoate

methyl (2E,4E,6Z,8E)-10-(oxan-2-yloxy)-6-trimethylsilyldeca-2,4,6,8-tetraenoate (PubChem CID 177400005) has the molecular formula C19H30O4Si and a molecular weight of 350.53 g/mol. Its IUPAC name is methyl (2E,4E,6Z,8E)-10-(oxan-2-yloxy)-6-trimethylsilyldeca-2,4,6,8-tetraenoate.

Molecular Properties

Compound Namemethyl (2E,4E,6Z,8E)-10-(oxan-2-yloxy)-6-trimethylsilyldeca-2,4,6,8-tetraenoate
PubChem CID177400005
Molecular FormulaC19H30O4Si
Molecular Weight350.53 g/mol
Exact Mass350.19
IUPAC Namemethyl (2E,4E,6Z,8E)-10-(oxan-2-yloxy)-6-trimethylsilyldeca-2,4,6,8-tetraenoate
SMILESCOC(=O)/C=C/C=C/C(=C/C=C/COC1CCCCO1)[Si](C)(C)C
InChIInChI=1S/C19H30O4Si/c1-21-18(20)13-6-5-11-17(24(2,3)4)12-7-9-15-22-19-14-8-10-16-23-19/h5-7,9,11-13,19H,8,10,14-16H2,1-4H3/b9-7+,11-5+,13-6+,17-12-
InChIKeyUCFUHMFDKKAGFV-VFGZKERDSA-N
XLogP4.18
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.53
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

Analyze methyl (2E,4E,6Z,8E)-10-(oxan-2-yloxy)-6-trimethylsilyldeca-2,4,6,8-tetraenoate with MolForge

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Related Compounds

methyl (2E,4E)-2-methyl-6-(oxan-2-yloxy)hexa-2,4-dienoate
CID 134902146
2-Butenoic acid, 4-(tetrahydro-2H-pyran-2-yloxy)-, methyl ester
CID 5367955
ethyl (2E,4E,6E,8E)-10-(oxan-2-yloxy)deca-2,4,6,8-tetraenoate
CID 11483205
methyl (2E,4Z)-2-methyl-6-(oxan-2-yloxy)hexa-2,4-dienoate
CID 134993482
Methyl (2Z)-4-(tetrahydro-2H-pyran-2-yloxy)-2-butenoate
CID 5369208
2-Butenoic acid, 4-[(tetrahydro-2H-pyran-2-yl)oxy]-, methyl ester, (Z)-
CID 559171
Ethyl 4-[2-tetrahydro pyranyl]oxycrotonate
CID 69609663
Ethyl 4-(oxan-2-yloxy)but-2-enoate
CID 69609664
(2-Dimethylsilyloxan-2-yl) but-2-enoate
CID 173779900
methyl (Z)-4-(oxan-2-yloxy)-3-tributylstannyl-2-trimethylsilylbut-2-enoate
CID 10507100
methyl (Z)-4-(oxan-2-yloxy)-2-tributylstannyl-3-trimethylsilylbut-2-enoate
CID 10626706
methyl (2E,4E)-6-(oxan-2-yloxy)hexa-2,4-dienoate
CID 12700314

Frequently Asked Questions

What is the IUPAC name of methyl (2E,4E,6Z,8E)-10-(oxan-2-yloxy)-6-trimethylsilyldeca-2,4,6,8-tetraenoate?
The IUPAC name of methyl (2E,4E,6Z,8E)-10-(oxan-2-yloxy)-6-trimethylsilyldeca-2,4,6,8-tetraenoate (CID 177400005) is methyl (2E,4E,6Z,8E)-10-(oxan-2-yloxy)-6-trimethylsilyldeca-2,4,6,8-tetraenoate.
What is the SMILES notation for methyl (2E,4E,6Z,8E)-10-(oxan-2-yloxy)-6-trimethylsilyldeca-2,4,6,8-tetraenoate?
The canonical SMILES for methyl (2E,4E,6Z,8E)-10-(oxan-2-yloxy)-6-trimethylsilyldeca-2,4,6,8-tetraenoate is COC(=O)/C=C/C=C/C(=C/C=C/COC1CCCCO1)[Si](C)(C)C.
What is the InChIKey of methyl (2E,4E,6Z,8E)-10-(oxan-2-yloxy)-6-trimethylsilyldeca-2,4,6,8-tetraenoate?
The InChIKey is UCFUHMFDKKAGFV-VFGZKERDSA-N. The full InChI is InChI=1S/C19H30O4Si/c1-21-18(20)13-6-5-11-17(24(2,3)4)12-7-9-15-22-19-14-8-10-16-23-19/h5-7,9,11-13,19H,8,10,14-16H2,1-4H3/b9-7+,11-5+,13-6+,17-12-.
What are the key properties of methyl (2E,4E,6Z,8E)-10-(oxan-2-yloxy)-6-trimethylsilyldeca-2,4,6,8-tetraenoate?
methyl (2E,4E,6Z,8E)-10-(oxan-2-yloxy)-6-trimethylsilyldeca-2,4,6,8-tetraenoate has a molecular weight of 350.53 g/mol, XLogP of 4.18, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E,4E,6Z,8E)-10-(oxan-2-yloxy)-6-trimethylsilyldeca-2,4,6,8-tetraenoate is sourced from PubChem (CID 177400005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).