[(3Z)-8-methyl-4-(trimethylsilylmethyl)nona-3,7-dienyl] 2,2-dimethylpropanoate

C19H36O2Si — CID 10947317

IUPAC[(3Z)-8-methyl-4-(trimethylsilylmethyl)nona-3,7-dienyl] 2,2-dimethylpropanoate
SMILESCC(C)=CCC/C(=C/CCOC(=O)C(C)(C)C)C[Si](C)(C)C
InChIInChI=1S/C19H36O2Si/c1-16(2)11-9-12-17(15-22(6,7)8)13-10-14-21-18(20)19(3,4)5/h11,13H,9-10,12,14-15H2,1-8H3/b17-13-
InChIKeyAXMRXDLURDGATP-LGMDPLHJSA-N
MW324.58 g/mol
LogP5.98
Rot. Bonds8

About [(3Z)-8-methyl-4-(trimethylsilylmethyl)nona-3,7-dienyl] 2,2-dimethylpropanoate

[(3Z)-8-methyl-4-(trimethylsilylmethyl)nona-3,7-dienyl] 2,2-dimethylpropanoate (PubChem CID 10947317) has the molecular formula C19H36O2Si and a molecular weight of 324.58 g/mol. Its IUPAC name is [(3Z)-8-methyl-4-(trimethylsilylmethyl)nona-3,7-dienyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(3Z)-8-methyl-4-(trimethylsilylmethyl)nona-3,7-dienyl] 2,2-dimethylpropanoate
PubChem CID10947317
Molecular FormulaC19H36O2Si
Molecular Weight324.58 g/mol
Exact Mass324.25
IUPAC Name[(3Z)-8-methyl-4-(trimethylsilylmethyl)nona-3,7-dienyl] 2,2-dimethylpropanoate
SMILESCC(C)=CCC/C(=C/CCOC(=O)C(C)(C)C)C[Si](C)(C)C
InChIInChI=1S/C19H36O2Si/c1-16(2)11-9-12-17(15-22(6,7)8)13-10-14-21-18(20)19(3,4)5/h11,13H,9-10,12,14-15H2,1-8H3/b17-13-
InChIKeyAXMRXDLURDGATP-LGMDPLHJSA-N
XLogP5.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.58
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl (3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienoate
CID 153944533
methyl (Z)-3-methyl-2-trimethylsilyloct-3-enoate
CID 102203794
[(E)-9-[tert-butyl(dimethyl)silyl]oxy-7-methylidenenon-5-enyl] acetate
CID 102216395
[(E)-6-trimethylsilylhex-4-enyl] 2,2-dimethylpropanoate
CID 102486405
[(E)-5-trimethylsilylpent-3-enyl] 2,2-dimethylpropanoate
CID 102486407
4,8,12-Trimethylpentadeca-3,7,11-trien-1-yl acetate
CID 129866309
4,8,12-Trimethyltetradeca-3,7,11-trien-1-yl acetate
CID 129866317
Ethyl 4-methyl-2-trimethylsilylpent-3-enoate
CID 145865776
ethyl (Z)-4-trimethylsilylpent-3-enoate
CID 20799013
ethyl (8E,12E)-5,9,13-trimethylpentadeca-3,4,8,12-tetraenoate
CID 21515734
Ethyl 5,9,13-trimethyl-3,4,8,12-pentadecatetraenoate
CID 53828293
3-Trimethylsilylpropyl 2,4-dimethyl-2-propan-2-ylpent-3-enoate
CID 89023482

Frequently Asked Questions

What is the IUPAC name of [(3Z)-8-methyl-4-(trimethylsilylmethyl)nona-3,7-dienyl] 2,2-dimethylpropanoate?
The IUPAC name of [(3Z)-8-methyl-4-(trimethylsilylmethyl)nona-3,7-dienyl] 2,2-dimethylpropanoate (CID 10947317) is [(3Z)-8-methyl-4-(trimethylsilylmethyl)nona-3,7-dienyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(3Z)-8-methyl-4-(trimethylsilylmethyl)nona-3,7-dienyl] 2,2-dimethylpropanoate?
The canonical SMILES for [(3Z)-8-methyl-4-(trimethylsilylmethyl)nona-3,7-dienyl] 2,2-dimethylpropanoate is CC(C)=CCC/C(=C/CCOC(=O)C(C)(C)C)C[Si](C)(C)C.
What is the InChIKey of [(3Z)-8-methyl-4-(trimethylsilylmethyl)nona-3,7-dienyl] 2,2-dimethylpropanoate?
The InChIKey is AXMRXDLURDGATP-LGMDPLHJSA-N. The full InChI is InChI=1S/C19H36O2Si/c1-16(2)11-9-12-17(15-22(6,7)8)13-10-14-21-18(20)19(3,4)5/h11,13H,9-10,12,14-15H2,1-8H3/b17-13-.
What are the key properties of [(3Z)-8-methyl-4-(trimethylsilylmethyl)nona-3,7-dienyl] 2,2-dimethylpropanoate?
[(3Z)-8-methyl-4-(trimethylsilylmethyl)nona-3,7-dienyl] 2,2-dimethylpropanoate has a molecular weight of 324.58 g/mol, XLogP of 5.98, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z)-8-methyl-4-(trimethylsilylmethyl)nona-3,7-dienyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 10947317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).