methyl (2Z,3Z)-2-[3-[tert-butyl(dimethyl)silyl]oxypropylidene]-3-ethylidenecyclopentane-1-carboxylate

C18H32O3Si — CID 11141902

IUPACmethyl (2Z,3Z)-2-[3-[tert-butyl(dimethyl)silyl]oxypropylidene]-3-ethylidenecyclopentane-1-carboxylate
SMILESC/C=C1/CCC(C(=O)OC)/C1=C/CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H32O3Si/c1-8-14-11-12-16(17(19)20-5)15(14)10-9-13-21-22(6,7)18(2,3)4/h8,10,16H,9,11-13H2,1-7H3/b14-8-,15-10+
InChIKeyPBVYBYOSFTTYJZ-DCQZTHCWSA-N
MW324.54 g/mol
LogP4.85
Rot. Bonds5

About methyl (2Z,3Z)-2-[3-[tert-butyl(dimethyl)silyl]oxypropylidene]-3-ethylidenecyclopentane-1-carboxylate

methyl (2Z,3Z)-2-[3-[tert-butyl(dimethyl)silyl]oxypropylidene]-3-ethylidenecyclopentane-1-carboxylate (PubChem CID 11141902) has the molecular formula C18H32O3Si and a molecular weight of 324.54 g/mol. Its IUPAC name is methyl (2Z,3Z)-2-[3-[tert-butyl(dimethyl)silyl]oxypropylidene]-3-ethylidenecyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl (2Z,3Z)-2-[3-[tert-butyl(dimethyl)silyl]oxypropylidene]-3-ethylidenecyclopentane-1-carboxylate
PubChem CID11141902
Molecular FormulaC18H32O3Si
Molecular Weight324.54 g/mol
Exact Mass324.21
IUPAC Namemethyl (2Z,3Z)-2-[3-[tert-butyl(dimethyl)silyl]oxypropylidene]-3-ethylidenecyclopentane-1-carboxylate
SMILESC/C=C1/CCC(C(=O)OC)/C1=C/CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H32O3Si/c1-8-14-11-12-16(17(19)20-5)15(14)10-9-13-21-22(6,7)18(2,3)4/h8,10,16H,9,11-13H2,1-7H3/b14-8-,15-10+
InChIKeyPBVYBYOSFTTYJZ-DCQZTHCWSA-N
XLogP4.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.54
LogP ≤ 54.85
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'}

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Frequently Asked Questions

What is the IUPAC name of methyl (2Z,3Z)-2-[3-[tert-butyl(dimethyl)silyl]oxypropylidene]-3-ethylidenecyclopentane-1-carboxylate?
The IUPAC name of methyl (2Z,3Z)-2-[3-[tert-butyl(dimethyl)silyl]oxypropylidene]-3-ethylidenecyclopentane-1-carboxylate (CID 11141902) is methyl (2Z,3Z)-2-[3-[tert-butyl(dimethyl)silyl]oxypropylidene]-3-ethylidenecyclopentane-1-carboxylate.
What is the SMILES notation for methyl (2Z,3Z)-2-[3-[tert-butyl(dimethyl)silyl]oxypropylidene]-3-ethylidenecyclopentane-1-carboxylate?
The canonical SMILES for methyl (2Z,3Z)-2-[3-[tert-butyl(dimethyl)silyl]oxypropylidene]-3-ethylidenecyclopentane-1-carboxylate is C/C=C1/CCC(C(=O)OC)/C1=C/CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (2Z,3Z)-2-[3-[tert-butyl(dimethyl)silyl]oxypropylidene]-3-ethylidenecyclopentane-1-carboxylate?
The InChIKey is PBVYBYOSFTTYJZ-DCQZTHCWSA-N. The full InChI is InChI=1S/C18H32O3Si/c1-8-14-11-12-16(17(19)20-5)15(14)10-9-13-21-22(6,7)18(2,3)4/h8,10,16H,9,11-13H2,1-7H3/b14-8-,15-10+.
What are the key properties of methyl (2Z,3Z)-2-[3-[tert-butyl(dimethyl)silyl]oxypropylidene]-3-ethylidenecyclopentane-1-carboxylate?
methyl (2Z,3Z)-2-[3-[tert-butyl(dimethyl)silyl]oxypropylidene]-3-ethylidenecyclopentane-1-carboxylate has a molecular weight of 324.54 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z,3Z)-2-[3-[tert-butyl(dimethyl)silyl]oxypropylidene]-3-ethylidenecyclopentane-1-carboxylate is sourced from PubChem (CID 11141902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).