[(Z)-12-(oxan-2-yloxy)-2-(trimethylsilylmethyl)dodec-2-enyl] acetate

C23H44O4Si — CID 177422864

IUPAC[(Z)-12-(oxan-2-yloxy)-2-(trimethylsilylmethyl)dodec-2-enyl] acetate
SMILESCC(=O)OC/C(=C/CCCCCCCCCOC1CCCCO1)C[Si](C)(C)C
InChIInChI=1S/C23H44O4Si/c1-21(24)27-19-22(20-28(2,3)4)15-11-9-7-5-6-8-10-13-17-25-23-16-12-14-18-26-23/h15,23H,5-14,16-20H2,1-4H3/b22-15-
InChIKeyBBQLDYDRRJEQPK-JCMHNJIXSA-N
MW412.69 g/mol
LogP6.48
Rot. Bonds15

About [(Z)-12-(oxan-2-yloxy)-2-(trimethylsilylmethyl)dodec-2-enyl] acetate

[(Z)-12-(oxan-2-yloxy)-2-(trimethylsilylmethyl)dodec-2-enyl] acetate (PubChem CID 177422864) has the molecular formula C23H44O4Si and a molecular weight of 412.69 g/mol. Its IUPAC name is [(Z)-12-(oxan-2-yloxy)-2-(trimethylsilylmethyl)dodec-2-enyl] acetate.

Molecular Properties

Compound Name[(Z)-12-(oxan-2-yloxy)-2-(trimethylsilylmethyl)dodec-2-enyl] acetate
PubChem CID177422864
Molecular FormulaC23H44O4Si
Molecular Weight412.69 g/mol
Exact Mass412.30
IUPAC Name[(Z)-12-(oxan-2-yloxy)-2-(trimethylsilylmethyl)dodec-2-enyl] acetate
SMILESCC(=O)OC/C(=C/CCCCCCCCCOC1CCCCO1)C[Si](C)(C)C
InChIInChI=1S/C23H44O4Si/c1-21(24)27-19-22(20-28(2,3)4)15-11-9-7-5-6-8-10-13-17-25-23-16-12-14-18-26-23/h15,23H,5-14,16-20H2,1-4H3/b22-15-
InChIKeyBBQLDYDRRJEQPK-JCMHNJIXSA-N
XLogP6.48
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.69
LogP ≤ 56.48
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)-12-(oxan-2-yloxy)-2-(trimethylsilylmethyl)dodec-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)-16-(oxan-2-yloxy)-2-(trimethylsilylmethyl)hexadec-2-enyl] acetate
CID 177429881
[(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)-12-(oxan-2-yloxy)-2-(trimethylsilylmethyl)dodec-2-enyl] acetate?
The IUPAC name of [(Z)-12-(oxan-2-yloxy)-2-(trimethylsilylmethyl)dodec-2-enyl] acetate (CID 177422864) is [(Z)-12-(oxan-2-yloxy)-2-(trimethylsilylmethyl)dodec-2-enyl] acetate.
What is the SMILES notation for [(Z)-12-(oxan-2-yloxy)-2-(trimethylsilylmethyl)dodec-2-enyl] acetate?
The canonical SMILES for [(Z)-12-(oxan-2-yloxy)-2-(trimethylsilylmethyl)dodec-2-enyl] acetate is CC(=O)OC/C(=C/CCCCCCCCCOC1CCCCO1)C[Si](C)(C)C.
What is the InChIKey of [(Z)-12-(oxan-2-yloxy)-2-(trimethylsilylmethyl)dodec-2-enyl] acetate?
The InChIKey is BBQLDYDRRJEQPK-JCMHNJIXSA-N. The full InChI is InChI=1S/C23H44O4Si/c1-21(24)27-19-22(20-28(2,3)4)15-11-9-7-5-6-8-10-13-17-25-23-16-12-14-18-26-23/h15,23H,5-14,16-20H2,1-4H3/b22-15-.
What are the key properties of [(Z)-12-(oxan-2-yloxy)-2-(trimethylsilylmethyl)dodec-2-enyl] acetate?
[(Z)-12-(oxan-2-yloxy)-2-(trimethylsilylmethyl)dodec-2-enyl] acetate has a molecular weight of 412.69 g/mol, XLogP of 6.48, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-12-(oxan-2-yloxy)-2-(trimethylsilylmethyl)dodec-2-enyl] acetate is sourced from PubChem (CID 177422864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).