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

C29H58O3Si — CID 87660882

IUPACmethyl (Z)-2-(2-methyl-1-triethylsilyloxypentyl)hexadec-2-enoate
SMILESCCCCCCCCCCCCC/C=C(\C(=O)OC)C(O[Si](CC)(CC)CC)C(C)CCC
InChIInChI=1S/C29H58O3Si/c1-8-13-14-15-16-17-18-19-20-21-22-23-25-27(29(30)31-7)28(26(6)24-9-2)32-33(10-3,11-4)12-5/h25-26,28H,8-24H2,1-7H3/b27-25-
InChIKeyAYZWXNDUSKLRQO-RFBIWTDZSA-N
MW482.87 g/mol
LogP9.61
Rot. Bonds22

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

methyl (Z)-2-(2-methyl-1-triethylsilyloxypentyl)hexadec-2-enoate (PubChem CID 87660882) has the molecular formula C29H58O3Si and a molecular weight of 482.87 g/mol. Its IUPAC name is methyl (Z)-2-(2-methyl-1-triethylsilyloxypentyl)hexadec-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-(2-methyl-1-triethylsilyloxypentyl)hexadec-2-enoate
PubChem CID87660882
Molecular FormulaC29H58O3Si
Molecular Weight482.87 g/mol
Exact Mass482.42
IUPAC Namemethyl (Z)-2-(2-methyl-1-triethylsilyloxypentyl)hexadec-2-enoate
SMILESCCCCCCCCCCCCC/C=C(\C(=O)OC)C(O[Si](CC)(CC)CC)C(C)CCC
InChIInChI=1S/C29H58O3Si/c1-8-13-14-15-16-17-18-19-20-21-22-23-25-27(29(30)31-7)28(26(6)24-9-2)32-33(10-3,11-4)12-5/h25-26,28H,8-24H2,1-7H3/b27-25-
InChIKeyAYZWXNDUSKLRQO-RFBIWTDZSA-N
XLogP9.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.87
LogP ≤ 59.61
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-triethylsilyloxypentyl)hexadec-2-enoate?
The IUPAC name of methyl (Z)-2-(2-methyl-1-triethylsilyloxypentyl)hexadec-2-enoate (CID 87660882) is methyl (Z)-2-(2-methyl-1-triethylsilyloxypentyl)hexadec-2-enoate.
What is the SMILES notation for methyl (Z)-2-(2-methyl-1-triethylsilyloxypentyl)hexadec-2-enoate?
The canonical SMILES for methyl (Z)-2-(2-methyl-1-triethylsilyloxypentyl)hexadec-2-enoate is CCCCCCCCCCCCC/C=C(\C(=O)OC)C(O[Si](CC)(CC)CC)C(C)CCC.
What is the InChIKey of methyl (Z)-2-(2-methyl-1-triethylsilyloxypentyl)hexadec-2-enoate?
The InChIKey is AYZWXNDUSKLRQO-RFBIWTDZSA-N. The full InChI is InChI=1S/C29H58O3Si/c1-8-13-14-15-16-17-18-19-20-21-22-23-25-27(29(30)31-7)28(26(6)24-9-2)32-33(10-3,11-4)12-5/h25-26,28H,8-24H2,1-7H3/b27-25-.
What are the key properties of methyl (Z)-2-(2-methyl-1-triethylsilyloxypentyl)hexadec-2-enoate?
methyl (Z)-2-(2-methyl-1-triethylsilyloxypentyl)hexadec-2-enoate has a molecular weight of 482.87 g/mol, XLogP of 9.61, 22 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-triethylsilyloxypentyl)hexadec-2-enoate is sourced from PubChem (CID 87660882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).