methyl 3-[4-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]propanoate

C15H28O3Si — CID 53243520

IUPACmethyl 3-[4-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]propanoate
SMILESCOC(=O)CCC1=CCC(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C15H28O3Si/c1-15(2,3)19(5,6)18-13-9-7-12(11-13)8-10-14(16)17-4/h7,13H,8-11H2,1-6H3
InChIKeyYNFGSDCVXSOBEH-UHFFFAOYSA-N
MW284.47 g/mol
LogP4.05
Rot. Bonds5

About methyl 3-[4-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]propanoate

methyl 3-[4-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]propanoate (PubChem CID 53243520) has the molecular formula C15H28O3Si and a molecular weight of 284.47 g/mol. Its IUPAC name is methyl 3-[4-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]propanoate
PubChem CID53243520
Molecular FormulaC15H28O3Si
Molecular Weight284.47 g/mol
Exact Mass284.18
IUPAC Namemethyl 3-[4-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]propanoate
SMILESCOC(=O)CCC1=CCC(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C15H28O3Si/c1-15(2,3)19(5,6)18-13-9-7-12(11-13)8-10-14(16)17-4/h7,13H,8-11H2,1-6H3
InChIKeyYNFGSDCVXSOBEH-UHFFFAOYSA-N
XLogP4.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 54.05
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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Related Compounds

1-Cyclohexene-1-acetic acid, 1-methylethyl ester
CID 175572
rac-(E)-14,16-Dimethyloxacyclohexadec-13-en-2-one
CID 89525617
(9E)-10,12-dimethyl-1-oxacyclododec-9-en-2-one
CID 134965188
methyl (Z)-3-pentyl-2-trimethylsilyloct-3-enoate
CID 154720226
9,11-Octadecadienoic acid, 14-hydroxy, TMS, methyl ester
CID 91749561
9-Trimethylsilyloxy-12-octadecenoic acid, methyl ester
CID 5366460
12-Trimethylsilyloxy-9-octadecenoic acid, trimethylsilyl ester
CID 5366665
16-Trimethylsilyloxy-9-octadecenoic acid, methyl ester
CID 6421149
15-Trimethylsilyloxy-9-octadecenoic acid, methyl ester
CID 6421153
Hexadec-9-enoic acid, 7-tert-butyldimethylsilyloxy-, methyl ester
CID 6421210
17-Trimethylsilyloxy-9-octadecenoic acid, methyl ester
CID 6422343
(5E,8R,14R)-8-[tert-butyl(dimethyl)silyl]oxy-14-pentyl-1-oxacyclotetradec-5-en-2-one
CID 10862501

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]propanoate?
The IUPAC name of methyl 3-[4-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]propanoate (CID 53243520) is methyl 3-[4-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]propanoate.
What is the SMILES notation for methyl 3-[4-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]propanoate?
The canonical SMILES for methyl 3-[4-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]propanoate is COC(=O)CCC1=CCC(O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of methyl 3-[4-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]propanoate?
The InChIKey is YNFGSDCVXSOBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3Si/c1-15(2,3)19(5,6)18-13-9-7-12(11-13)8-10-14(16)17-4/h7,13H,8-11H2,1-6H3.
What are the key properties of methyl 3-[4-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]propanoate?
methyl 3-[4-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]propanoate has a molecular weight of 284.47 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]propanoate is sourced from PubChem (CID 53243520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).