[(Z)-16-(oxan-2-yloxy)-2-(trimethylsilylmethyl)hexadec-2-enyl] acetate

C27H52O4Si — CID 177429881

IUPAC[(Z)-16-(oxan-2-yloxy)-2-(trimethylsilylmethyl)hexadec-2-enyl] acetate
SMILESCC(=O)OC/C(=C/CCCCCCCCCCCCCOC1CCCCO1)C[Si](C)(C)C
InChIInChI=1S/C27H52O4Si/c1-25(28)31-23-26(24-32(2,3)4)19-15-13-11-9-7-5-6-8-10-12-14-17-21-29-27-20-16-18-22-30-27/h19,27H,5-18,20-24H2,1-4H3/b26-19-
InChIKeyVVRQJQSMHWJTQI-XHPQRKPJSA-N
MW468.80 g/mol
LogP8.04
Rot. Bonds19

About [(Z)-16-(oxan-2-yloxy)-2-(trimethylsilylmethyl)hexadec-2-enyl] acetate

[(Z)-16-(oxan-2-yloxy)-2-(trimethylsilylmethyl)hexadec-2-enyl] acetate (PubChem CID 177429881) has the molecular formula C27H52O4Si and a molecular weight of 468.80 g/mol. Its IUPAC name is [(Z)-16-(oxan-2-yloxy)-2-(trimethylsilylmethyl)hexadec-2-enyl] acetate.

Molecular Properties

Compound Name[(Z)-16-(oxan-2-yloxy)-2-(trimethylsilylmethyl)hexadec-2-enyl] acetate
PubChem CID177429881
Molecular FormulaC27H52O4Si
Molecular Weight468.80 g/mol
Exact Mass468.36
IUPAC Name[(Z)-16-(oxan-2-yloxy)-2-(trimethylsilylmethyl)hexadec-2-enyl] acetate
SMILESCC(=O)OC/C(=C/CCCCCCCCCCCCCOC1CCCCO1)C[Si](C)(C)C
InChIInChI=1S/C27H52O4Si/c1-25(28)31-23-26(24-32(2,3)4)19-15-13-11-9-7-5-6-8-10-12-14-17-21-29-27-20-16-18-22-30-27/h19,27H,5-18,20-24H2,1-4H3/b26-19-
InChIKeyVVRQJQSMHWJTQI-XHPQRKPJSA-N
XLogP8.04
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.80
LogP ≤ 58.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

Analyze [(Z)-16-(oxan-2-yloxy)-2-(trimethylsilylmethyl)hexadec-2-enyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (Z)-8-(oxan-2-yloxy)-2-(trimethylsilylmethyl)oct-2-enoate
CID 13773629
(2E,5S,7S,8E,11S,13S,15R)-Ethyl 13-(tert-butyldimethylsilyloxy)-11,15-di(methoxymethoxy)-3-methyl-5,7-[(S)-methylmethylenedioxy]hexadeca-2,8-dienate
CID 56946978
(2E,5S,7S,8Z,11S,13S,15R)-Ethyl 13-(tert-butyldimethylsilyloxy)-11,15-di(methoxymethoxy)-3-methyl-5,7-[(S)-methylmethylenedioxy]hexadeca-2,8-dienate
CID 56946986
ethyl (Z)-12-(oxan-2-yloxy)-2-(trimethylsilylmethyl)dodec-2-enoate
CID 9979087
ethyl (Z)-16-(oxan-2-yloxy)-2-(trimethylsilylmethyl)hexadec-2-enoate
CID 9982100
ethyl (Z)-9-(oxan-2-yloxy)-2-(trimethylsilylmethyl)non-2-enoate
CID 10384557
[(Z)-12-(oxan-2-yloxy)-2-(trimethylsilylmethyl)dodec-2-enyl] acetate
CID 177422864
[(Z)-9-(oxan-2-yloxy)-2-(trimethylsilylmethyl)non-2-enyl] acetate
CID 177516996
ethyl (Z)-10-(oxan-2-yloxy)-2-(trimethylsilylmethyl)dec-2-enoate
CID 177569042
[(Z)-9-(oxan-2-yloxy)-2-(trimethylsilylmethyl)non-2-enyl] 2,2-dimethylpropanoate
CID 177618622
[(Z)-10-(oxan-2-yloxy)-2-(trimethylsilylmethyl)dec-2-enyl] acetate
CID 177624180
Tert-butyl-[2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]-4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxy-dimethylsilane
CID 12692820

Frequently Asked Questions

What is the IUPAC name of [(Z)-16-(oxan-2-yloxy)-2-(trimethylsilylmethyl)hexadec-2-enyl] acetate?
The IUPAC name of [(Z)-16-(oxan-2-yloxy)-2-(trimethylsilylmethyl)hexadec-2-enyl] acetate (CID 177429881) is [(Z)-16-(oxan-2-yloxy)-2-(trimethylsilylmethyl)hexadec-2-enyl] acetate.
What is the SMILES notation for [(Z)-16-(oxan-2-yloxy)-2-(trimethylsilylmethyl)hexadec-2-enyl] acetate?
The canonical SMILES for [(Z)-16-(oxan-2-yloxy)-2-(trimethylsilylmethyl)hexadec-2-enyl] acetate is CC(=O)OC/C(=C/CCCCCCCCCCCCCOC1CCCCO1)C[Si](C)(C)C.
What is the InChIKey of [(Z)-16-(oxan-2-yloxy)-2-(trimethylsilylmethyl)hexadec-2-enyl] acetate?
The InChIKey is VVRQJQSMHWJTQI-XHPQRKPJSA-N. The full InChI is InChI=1S/C27H52O4Si/c1-25(28)31-23-26(24-32(2,3)4)19-15-13-11-9-7-5-6-8-10-12-14-17-21-29-27-20-16-18-22-30-27/h19,27H,5-18,20-24H2,1-4H3/b26-19-.
What are the key properties of [(Z)-16-(oxan-2-yloxy)-2-(trimethylsilylmethyl)hexadec-2-enyl] acetate?
[(Z)-16-(oxan-2-yloxy)-2-(trimethylsilylmethyl)hexadec-2-enyl] acetate has a molecular weight of 468.80 g/mol, XLogP of 8.04, 19 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-16-(oxan-2-yloxy)-2-(trimethylsilylmethyl)hexadec-2-enyl] acetate is sourced from PubChem (CID 177429881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).