methyl (Z,11S)-12-[tert-butyl(dimethyl)silyl]oxy-11-hydroxydodec-9-enoate

C19H38O4Si — CID 11142898

IUPACmethyl (Z,11S)-12-[tert-butyl(dimethyl)silyl]oxy-11-hydroxydodec-9-enoate
SMILESCOC(=O)CCCCCCC/C=C\[C@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O4Si/c1-19(2,3)24(5,6)23-16-17(20)14-12-10-8-7-9-11-13-15-18(21)22-4/h12,14,17,20H,7-11,13,15-16H2,1-6H3/b14-12-/t17-/m0/s1
InChIKeyLTFSGPUSFAUCPC-AINHQSCGSA-N
MW358.60 g/mol
LogP4.83
Rot. Bonds12

About methyl (Z,11S)-12-[tert-butyl(dimethyl)silyl]oxy-11-hydroxydodec-9-enoate

methyl (Z,11S)-12-[tert-butyl(dimethyl)silyl]oxy-11-hydroxydodec-9-enoate (PubChem CID 11142898) has the molecular formula C19H38O4Si and a molecular weight of 358.60 g/mol. Its IUPAC name is methyl (Z,11S)-12-[tert-butyl(dimethyl)silyl]oxy-11-hydroxydodec-9-enoate.

Molecular Properties

Compound Namemethyl (Z,11S)-12-[tert-butyl(dimethyl)silyl]oxy-11-hydroxydodec-9-enoate
PubChem CID11142898
Molecular FormulaC19H38O4Si
Molecular Weight358.60 g/mol
Exact Mass358.25
IUPAC Namemethyl (Z,11S)-12-[tert-butyl(dimethyl)silyl]oxy-11-hydroxydodec-9-enoate
SMILESCOC(=O)CCCCCCC/C=C\[C@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O4Si/c1-19(2,3)24(5,6)23-16-17(20)14-12-10-8-7-9-11-13-15-18(21)22-4/h12,14,17,20H,7-11,13,15-16H2,1-6H3/b14-12-/t17-/m0/s1
InChIKeyLTFSGPUSFAUCPC-AINHQSCGSA-N
XLogP4.83
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.60
LogP ≤ 54.83
H-Bond Donors ≤ 51
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'}

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Frequently Asked Questions

What is the IUPAC name of methyl (Z,11S)-12-[tert-butyl(dimethyl)silyl]oxy-11-hydroxydodec-9-enoate?
The IUPAC name of methyl (Z,11S)-12-[tert-butyl(dimethyl)silyl]oxy-11-hydroxydodec-9-enoate (CID 11142898) is methyl (Z,11S)-12-[tert-butyl(dimethyl)silyl]oxy-11-hydroxydodec-9-enoate.
What is the SMILES notation for methyl (Z,11S)-12-[tert-butyl(dimethyl)silyl]oxy-11-hydroxydodec-9-enoate?
The canonical SMILES for methyl (Z,11S)-12-[tert-butyl(dimethyl)silyl]oxy-11-hydroxydodec-9-enoate is COC(=O)CCCCCCC/C=C\[C@H](O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (Z,11S)-12-[tert-butyl(dimethyl)silyl]oxy-11-hydroxydodec-9-enoate?
The InChIKey is LTFSGPUSFAUCPC-AINHQSCGSA-N. The full InChI is InChI=1S/C19H38O4Si/c1-19(2,3)24(5,6)23-16-17(20)14-12-10-8-7-9-11-13-15-18(21)22-4/h12,14,17,20H,7-11,13,15-16H2,1-6H3/b14-12-/t17-/m0/s1.
What are the key properties of methyl (Z,11S)-12-[tert-butyl(dimethyl)silyl]oxy-11-hydroxydodec-9-enoate?
methyl (Z,11S)-12-[tert-butyl(dimethyl)silyl]oxy-11-hydroxydodec-9-enoate has a molecular weight of 358.60 g/mol, XLogP of 4.83, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z,11S)-12-[tert-butyl(dimethyl)silyl]oxy-11-hydroxydodec-9-enoate is sourced from PubChem (CID 11142898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).