methyl (Z)-2-(2-methyl-1-trimethylsilyloxypentyl)hexadec-2-enoate

C26H52O3Si — CID 87659799

IUPACmethyl (Z)-2-(2-methyl-1-trimethylsilyloxypentyl)hexadec-2-enoate
SMILESCCCCCCCCCCCCC/C=C(\C(=O)OC)C(O[Si](C)(C)C)C(C)CCC
InChIInChI=1S/C26H52O3Si/c1-8-10-11-12-13-14-15-16-17-18-19-20-22-24(26(27)28-4)25(23(3)21-9-2)29-30(5,6)7/h22-23,25H,8-21H2,1-7H3/b24-22-
InChIKeyNXTZICCFSGDESR-GYHWCHFESA-N
MW440.79 g/mol
LogP8.44
Rot. Bonds19

About methyl (Z)-2-(2-methyl-1-trimethylsilyloxypentyl)hexadec-2-enoate

methyl (Z)-2-(2-methyl-1-trimethylsilyloxypentyl)hexadec-2-enoate (PubChem CID 87659799) has the molecular formula C26H52O3Si and a molecular weight of 440.79 g/mol. Its IUPAC name is methyl (Z)-2-(2-methyl-1-trimethylsilyloxypentyl)hexadec-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-(2-methyl-1-trimethylsilyloxypentyl)hexadec-2-enoate
PubChem CID87659799
Molecular FormulaC26H52O3Si
Molecular Weight440.79 g/mol
Exact Mass440.37
IUPAC Namemethyl (Z)-2-(2-methyl-1-trimethylsilyloxypentyl)hexadec-2-enoate
SMILESCCCCCCCCCCCCC/C=C(\C(=O)OC)C(O[Si](C)(C)C)C(C)CCC
InChIInChI=1S/C26H52O3Si/c1-8-10-11-12-13-14-15-16-17-18-19-20-22-24(26(27)28-4)25(23(3)21-9-2)29-30(5,6)7/h22-23,25H,8-21H2,1-7H3/b24-22-
InChIKeyNXTZICCFSGDESR-GYHWCHFESA-N
XLogP8.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.79
LogP ≤ 58.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-(2-methyl-1-trimethylsilyloxypentyl)hexadec-2-enoate?
The IUPAC name of methyl (Z)-2-(2-methyl-1-trimethylsilyloxypentyl)hexadec-2-enoate (CID 87659799) is methyl (Z)-2-(2-methyl-1-trimethylsilyloxypentyl)hexadec-2-enoate.
What is the SMILES notation for methyl (Z)-2-(2-methyl-1-trimethylsilyloxypentyl)hexadec-2-enoate?
The canonical SMILES for methyl (Z)-2-(2-methyl-1-trimethylsilyloxypentyl)hexadec-2-enoate is CCCCCCCCCCCCC/C=C(\C(=O)OC)C(O[Si](C)(C)C)C(C)CCC.
What is the InChIKey of methyl (Z)-2-(2-methyl-1-trimethylsilyloxypentyl)hexadec-2-enoate?
The InChIKey is NXTZICCFSGDESR-GYHWCHFESA-N. The full InChI is InChI=1S/C26H52O3Si/c1-8-10-11-12-13-14-15-16-17-18-19-20-22-24(26(27)28-4)25(23(3)21-9-2)29-30(5,6)7/h22-23,25H,8-21H2,1-7H3/b24-22-.
What are the key properties of methyl (Z)-2-(2-methyl-1-trimethylsilyloxypentyl)hexadec-2-enoate?
methyl (Z)-2-(2-methyl-1-trimethylsilyloxypentyl)hexadec-2-enoate has a molecular weight of 440.79 g/mol, XLogP of 8.44, 19 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-(2-methyl-1-trimethylsilyloxypentyl)hexadec-2-enoate is sourced from PubChem (CID 87659799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).