ethyl (Z)-16-hydroxy-2-(trimethylsilylmethyl)hexadec-2-enoate

C22H44O3Si — CID 10340015

IUPACethyl (Z)-16-hydroxy-2-(trimethylsilylmethyl)hexadec-2-enoate
SMILESCCOC(=O)/C(=C/CCCCCCCCCCCCCO)C[Si](C)(C)C
InChIInChI=1S/C22H44O3Si/c1-5-25-22(24)21(20-26(2,3)4)18-16-14-12-10-8-6-7-9-11-13-15-17-19-23/h18,23H,5-17,19-20H2,1-4H3/b21-18+
InChIKeyIHHSWNHXRPNKOT-DYTRJAOYSA-N
MW384.68 g/mol
LogP6.49
Rot. Bonds17

About ethyl (Z)-16-hydroxy-2-(trimethylsilylmethyl)hexadec-2-enoate

ethyl (Z)-16-hydroxy-2-(trimethylsilylmethyl)hexadec-2-enoate (PubChem CID 10340015) has the molecular formula C22H44O3Si and a molecular weight of 384.68 g/mol. Its IUPAC name is ethyl (Z)-16-hydroxy-2-(trimethylsilylmethyl)hexadec-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-16-hydroxy-2-(trimethylsilylmethyl)hexadec-2-enoate
PubChem CID10340015
Molecular FormulaC22H44O3Si
Molecular Weight384.68 g/mol
Exact Mass384.31
IUPAC Nameethyl (Z)-16-hydroxy-2-(trimethylsilylmethyl)hexadec-2-enoate
SMILESCCOC(=O)/C(=C/CCCCCCCCCCCCCO)C[Si](C)(C)C
InChIInChI=1S/C22H44O3Si/c1-5-25-22(24)21(20-26(2,3)4)18-16-14-12-10-8-6-7-9-11-13-15-17-19-23/h18,23H,5-17,19-20H2,1-4H3/b21-18+
InChIKeyIHHSWNHXRPNKOT-DYTRJAOYSA-N
XLogP6.49
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.68
LogP ≤ 56.49
H-Bond Donors ≤ 51
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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Related Compounds

(E)-tert-Butyl 11-(tert-butyldimethylsilyloxy)-2-undecenoate
CID 24859311
methyl (E)-11-[tert-butyl(dimethyl)silyl]oxy-2-methylundec-2-enoate
CID 11772258
methyl (E,7R)-9-[tert-butyl(dimethyl)silyl]oxy-7-hydroxynon-2-enoate
CID 24949356
methyl (E)-3-propyl-4-triethylsilyloxydec-2-enoate
CID 71486540
Dodecyl 4,7-dihydroxy-2-methylhept-2-enoate
CID 91270227
methyl (Z)-11-[tert-butyl(dimethyl)silyl]oxy-2-methylundec-2-enoate
CID 101049472
ethyl (2E,4R,5S,6R,7R,8S,10E)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4,6,8,10-pentamethyldodeca-2,10-dienoate
CID 134940787
ethyl (E)-4-[(1S,2S)-2-(3-hydroxypropyl)cyclopentyl]-2-(trimethylsilylmethyl)but-2-enoate
CID 10042076
ethyl (Z)-4-[(1S,2S)-2-(3-hydroxypropyl)cyclopentyl]-2-(trimethylsilylmethyl)but-2-enoate
CID 10336525
ethyl (Z)-9-hydroxy-2-(trimethylsilylmethyl)non-2-enoate
CID 10356686
ethyl (Z)-12-hydroxy-2-(trimethylsilylmethyl)dodec-2-enoate
CID 10471737
[(Z)-16-hydroxy-2-(trimethylsilylmethyl)hexadec-2-enyl] acetate
CID 10883525

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-16-hydroxy-2-(trimethylsilylmethyl)hexadec-2-enoate?
The IUPAC name of ethyl (Z)-16-hydroxy-2-(trimethylsilylmethyl)hexadec-2-enoate (CID 10340015) is ethyl (Z)-16-hydroxy-2-(trimethylsilylmethyl)hexadec-2-enoate.
What is the SMILES notation for ethyl (Z)-16-hydroxy-2-(trimethylsilylmethyl)hexadec-2-enoate?
The canonical SMILES for ethyl (Z)-16-hydroxy-2-(trimethylsilylmethyl)hexadec-2-enoate is CCOC(=O)/C(=C/CCCCCCCCCCCCCO)C[Si](C)(C)C.
What is the InChIKey of ethyl (Z)-16-hydroxy-2-(trimethylsilylmethyl)hexadec-2-enoate?
The InChIKey is IHHSWNHXRPNKOT-DYTRJAOYSA-N. The full InChI is InChI=1S/C22H44O3Si/c1-5-25-22(24)21(20-26(2,3)4)18-16-14-12-10-8-6-7-9-11-13-15-17-19-23/h18,23H,5-17,19-20H2,1-4H3/b21-18+.
What are the key properties of ethyl (Z)-16-hydroxy-2-(trimethylsilylmethyl)hexadec-2-enoate?
ethyl (Z)-16-hydroxy-2-(trimethylsilylmethyl)hexadec-2-enoate has a molecular weight of 384.68 g/mol, XLogP of 6.49, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-16-hydroxy-2-(trimethylsilylmethyl)hexadec-2-enoate is sourced from PubChem (CID 10340015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).