methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-6-enoate

C15H30O3Si — CID 134780962

IUPACmethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-6-enoate
SMILESC=C(C)CC[C@@H](CC(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O3Si/c1-12(2)9-10-13(11-14(16)17-6)18-19(7,8)15(3,4)5/h13H,1,9-11H2,2-8H3/t13-/m0/s1
InChIKeyYEMXHOTUYCMZCA-ZDUSSCGKSA-N
MW286.49 g/mol
LogP4.30
Rot. Bonds7

About methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-6-enoate

methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-6-enoate (PubChem CID 134780962) has the molecular formula C15H30O3Si and a molecular weight of 286.49 g/mol. Its IUPAC name is methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-6-enoate.

Molecular Properties

Compound Namemethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-6-enoate
PubChem CID134780962
Molecular FormulaC15H30O3Si
Molecular Weight286.49 g/mol
Exact Mass286.20
IUPAC Namemethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-6-enoate
SMILESC=C(C)CC[C@@H](CC(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O3Si/c1-12(2)9-10-13(11-14(16)17-6)18-19(7,8)15(3,4)5/h13H,1,9-11H2,2-8H3/t13-/m0/s1
InChIKeyYEMXHOTUYCMZCA-ZDUSSCGKSA-N
XLogP4.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 (3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-6-enoate?
The IUPAC name of methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-6-enoate (CID 134780962) is methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-6-enoate.
What is the SMILES notation for methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-6-enoate?
The canonical SMILES for methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-6-enoate is C=C(C)CC[C@@H](CC(=O)OC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-6-enoate?
The InChIKey is YEMXHOTUYCMZCA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H30O3Si/c1-12(2)9-10-13(11-14(16)17-6)18-19(7,8)15(3,4)5/h13H,1,9-11H2,2-8H3/t13-/m0/s1.
What are the key properties of methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-6-enoate?
methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-6-enoate has a molecular weight of 286.49 g/mol, XLogP of 4.30, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-6-enoate is sourced from PubChem (CID 134780962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).