methyl (Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-7-enoate

C29H42O3Si — CID 101126563

IUPACmethyl (Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-7-enoate
SMILESCOC(=O)CCCCC/C=C\CCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C29H42O3Si/c1-29(2,3)33(26-20-14-12-15-21-26,27-22-16-13-17-23-27)32-25-19-11-9-7-5-6-8-10-18-24-28(30)31-4/h5,7,12-17,20-23H,6,8-11,18-19,24-25H2,1-4H3/b7-5-
InChIKeyBFFQXHWBJZXYCG-ALCCZGGFSA-N
MW466.74 g/mol
LogP6.41
Rot. Bonds14

About methyl (Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-7-enoate

methyl (Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-7-enoate (PubChem CID 101126563) has the molecular formula C29H42O3Si and a molecular weight of 466.74 g/mol. Its IUPAC name is methyl (Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-7-enoate.

Molecular Properties

Compound Namemethyl (Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-7-enoate
PubChem CID101126563
Molecular FormulaC29H42O3Si
Molecular Weight466.74 g/mol
Exact Mass466.29
IUPAC Namemethyl (Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-7-enoate
SMILESCOC(=O)CCCCC/C=C\CCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C29H42O3Si/c1-29(2,3)33(26-20-14-12-15-21-26,27-22-16-13-17-23-27)32-25-19-11-9-7-5-6-8-10-18-24-28(30)31-4/h5,7,12-17,20-23H,6,8-11,18-19,24-25H2,1-4H3/b7-5-
InChIKeyBFFQXHWBJZXYCG-ALCCZGGFSA-N
XLogP6.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.74
LogP ≤ 56.41
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

9-[Tert-butyl(diphenyl)silyl]oxynonanal
CID 15287973
6-[Tert-butyl(diphenyl)silyl]oxyhexan-2-one
CID 15889737
US11241393, Sil 25
CID 415120
2,2,2-trifluoroethyl (3R)-3-[dimethyl(phenyl)silyl]heptanoate
CID 24879956
Methyl 3-[dimethyl(phenyl)silyl]-3-phenylpropanoate
CID 10957503
Ethyl 3-[dimethyl(phenyl)silyl]-3-phenylpropanoate
CID 11404193
methyl 3-[[(Z)-2-methylbut-2-enyl]-diphenylsilyl]-3-phenylpropanoate
CID 11796091
Ethyl 2-[methyl(diphenyl)silyl]decanoate
CID 13225432
Methyl 8-[tert-butyl(diphenyl)silyl]oxyocta-5,6-dienoate
CID 14778762
(6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-2-one
CID 25108262
ethyl (3S)-3-[dimethyl(phenyl)silyl]-5-oxotetradecanoate
CID 101808213
7-(t-Butyldiphenylsilyloxy)heptanal
CID 10883126

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-7-enoate?
The IUPAC name of methyl (Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-7-enoate (CID 101126563) is methyl (Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-7-enoate.
What is the SMILES notation for methyl (Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-7-enoate?
The canonical SMILES for methyl (Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-7-enoate is COC(=O)CCCCC/C=C\CCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of methyl (Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-7-enoate?
The InChIKey is BFFQXHWBJZXYCG-ALCCZGGFSA-N. The full InChI is InChI=1S/C29H42O3Si/c1-29(2,3)33(26-20-14-12-15-21-26,27-22-16-13-17-23-27)32-25-19-11-9-7-5-6-8-10-18-24-28(30)31-4/h5,7,12-17,20-23H,6,8-11,18-19,24-25H2,1-4H3/b7-5-.
What are the key properties of methyl (Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-7-enoate?
methyl (Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-7-enoate has a molecular weight of 466.74 g/mol, XLogP of 6.41, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-7-enoate is sourced from PubChem (CID 101126563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).