methyl (3Z)-3-cyclohexyl-2-trimethylsilyltetradeca-3,13-dienoate

C24H44O2Si — CID 102203799

IUPACmethyl (3Z)-3-cyclohexyl-2-trimethylsilyltetradeca-3,13-dienoate
SMILESC=CCCCCCCCC/C=C(/C1CCCCC1)C(C(=O)OC)[Si](C)(C)C
InChIInChI=1S/C24H44O2Si/c1-6-7-8-9-10-11-12-13-17-20-22(21-18-15-14-16-19-21)23(24(25)26-2)27(3,4)5/h6,20-21,23H,1,7-19H2,2-5H3/b22-20-
InChIKeyZRCXGJCHFPMBOR-XDOYNYLZSA-N
MW392.70 g/mol
LogP7.68
Rot. Bonds13

About methyl (3Z)-3-cyclohexyl-2-trimethylsilyltetradeca-3,13-dienoate

methyl (3Z)-3-cyclohexyl-2-trimethylsilyltetradeca-3,13-dienoate (PubChem CID 102203799) has the molecular formula C24H44O2Si and a molecular weight of 392.70 g/mol. Its IUPAC name is methyl (3Z)-3-cyclohexyl-2-trimethylsilyltetradeca-3,13-dienoate.

Molecular Properties

Compound Namemethyl (3Z)-3-cyclohexyl-2-trimethylsilyltetradeca-3,13-dienoate
PubChem CID102203799
Molecular FormulaC24H44O2Si
Molecular Weight392.70 g/mol
Exact Mass392.31
IUPAC Namemethyl (3Z)-3-cyclohexyl-2-trimethylsilyltetradeca-3,13-dienoate
SMILESC=CCCCCCCCC/C=C(/C1CCCCC1)C(C(=O)OC)[Si](C)(C)C
InChIInChI=1S/C24H44O2Si/c1-6-7-8-9-10-11-12-13-17-20-22(21-18-15-14-16-19-21)23(24(25)26-2)27(3,4)5/h6,20-21,23H,1,7-19H2,2-5H3/b22-20-
InChIKeyZRCXGJCHFPMBOR-XDOYNYLZSA-N
XLogP7.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.70
LogP ≤ 57.68
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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Frequently Asked Questions

What is the IUPAC name of methyl (3Z)-3-cyclohexyl-2-trimethylsilyltetradeca-3,13-dienoate?
The IUPAC name of methyl (3Z)-3-cyclohexyl-2-trimethylsilyltetradeca-3,13-dienoate (CID 102203799) is methyl (3Z)-3-cyclohexyl-2-trimethylsilyltetradeca-3,13-dienoate.
What is the SMILES notation for methyl (3Z)-3-cyclohexyl-2-trimethylsilyltetradeca-3,13-dienoate?
The canonical SMILES for methyl (3Z)-3-cyclohexyl-2-trimethylsilyltetradeca-3,13-dienoate is C=CCCCCCCCC/C=C(/C1CCCCC1)C(C(=O)OC)[Si](C)(C)C.
What is the InChIKey of methyl (3Z)-3-cyclohexyl-2-trimethylsilyltetradeca-3,13-dienoate?
The InChIKey is ZRCXGJCHFPMBOR-XDOYNYLZSA-N. The full InChI is InChI=1S/C24H44O2Si/c1-6-7-8-9-10-11-12-13-17-20-22(21-18-15-14-16-19-21)23(24(25)26-2)27(3,4)5/h6,20-21,23H,1,7-19H2,2-5H3/b22-20-.
What are the key properties of methyl (3Z)-3-cyclohexyl-2-trimethylsilyltetradeca-3,13-dienoate?
methyl (3Z)-3-cyclohexyl-2-trimethylsilyltetradeca-3,13-dienoate has a molecular weight of 392.70 g/mol, XLogP of 7.68, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3Z)-3-cyclohexyl-2-trimethylsilyltetradeca-3,13-dienoate is sourced from PubChem (CID 102203799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).