methyl (E)-3,3-dimethyl-6-trimethylsilylnon-7-enoate

C15H30O2Si — CID 102450626

IUPACmethyl (E)-3,3-dimethyl-6-trimethylsilylnon-7-enoate
SMILESC/C=C/C(CCC(C)(C)CC(=O)OC)[Si](C)(C)C
InChIInChI=1S/C15H30O2Si/c1-8-9-13(18(5,6)7)10-11-15(2,3)12-14(16)17-4/h8-9,13H,10-12H2,1-7H3/b9-8+
InChIKeyIOEQCDBMSJZRON-CMDGGOBGSA-N
MW270.49 g/mol
LogP4.64
Rot. Bonds7

About methyl (E)-3,3-dimethyl-6-trimethylsilylnon-7-enoate

methyl (E)-3,3-dimethyl-6-trimethylsilylnon-7-enoate (PubChem CID 102450626) has the molecular formula C15H30O2Si and a molecular weight of 270.49 g/mol. Its IUPAC name is methyl (E)-3,3-dimethyl-6-trimethylsilylnon-7-enoate.

Molecular Properties

Compound Namemethyl (E)-3,3-dimethyl-6-trimethylsilylnon-7-enoate
PubChem CID102450626
Molecular FormulaC15H30O2Si
Molecular Weight270.49 g/mol
Exact Mass270.20
IUPAC Namemethyl (E)-3,3-dimethyl-6-trimethylsilylnon-7-enoate
SMILESC/C=C/C(CCC(C)(C)CC(=O)OC)[Si](C)(C)C
InChIInChI=1S/C15H30O2Si/c1-8-9-13(18(5,6)7)10-11-15(2,3)12-14(16)17-4/h8-9,13H,10-12H2,1-7H3/b9-8+
InChIKeyIOEQCDBMSJZRON-CMDGGOBGSA-N
XLogP4.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Methyl 4-trimethylsilylmethyl-3-cyclohexenecarboxylate
CID 10537258
Methyl 2-cyclohex-2-en-1-yl-2-methylpropanoate
CID 13096503
methyl 2-[(1R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohex-2-en-1-yl]acetate
CID 11109321
methyl 3-[(E)-prop-1-enyl]heptanoate
CID 12933618
methyl 2-[(1R,2R)-2-[(E)-3-trimethylsilylbut-1-enyl]cyclopentyl]acetate
CID 134901015
methyl 2-[(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-methylcyclohex-2-en-1-yl]acetate
CID 134983703
[tert-butyl(dimethyl)silyl] (2S)-2-[(1R)-cyclohex-2-en-1-yl]propanoate
CID 135018892
[tert-butyl(dimethyl)silyl] (2R)-2-[(1R)-cyclohex-2-en-1-yl]propanoate
CID 135040256
Methyl 2-methyl-2-(1-methylcyclohex-2-en-1-yl)-5-trimethylsilylpent-4-ynoate
CID 135042853
(1,4,4-Trimethylcyclohex-2-enyl)acetic acid, methyl ester
CID 579572
ethyl 2-[(1R)-1,5,5-trimethylcyclohex-2-en-1-yl]acetate
CID 10262545
Ethyl 2-(1,5,5-trimethylcyclohex-2-en-1-yl)acetate
CID 14942087

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3,3-dimethyl-6-trimethylsilylnon-7-enoate?
The IUPAC name of methyl (E)-3,3-dimethyl-6-trimethylsilylnon-7-enoate (CID 102450626) is methyl (E)-3,3-dimethyl-6-trimethylsilylnon-7-enoate.
What is the SMILES notation for methyl (E)-3,3-dimethyl-6-trimethylsilylnon-7-enoate?
The canonical SMILES for methyl (E)-3,3-dimethyl-6-trimethylsilylnon-7-enoate is C/C=C/C(CCC(C)(C)CC(=O)OC)[Si](C)(C)C.
What is the InChIKey of methyl (E)-3,3-dimethyl-6-trimethylsilylnon-7-enoate?
The InChIKey is IOEQCDBMSJZRON-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H30O2Si/c1-8-9-13(18(5,6)7)10-11-15(2,3)12-14(16)17-4/h8-9,13H,10-12H2,1-7H3/b9-8+.
What are the key properties of methyl (E)-3,3-dimethyl-6-trimethylsilylnon-7-enoate?
methyl (E)-3,3-dimethyl-6-trimethylsilylnon-7-enoate has a molecular weight of 270.49 g/mol, XLogP of 4.64, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3,3-dimethyl-6-trimethylsilylnon-7-enoate is sourced from PubChem (CID 102450626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).