2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-prop-2-enylcyclopentan-1-one

C18H34O2Si — CID 101059159

IUPAC2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-prop-2-enylcyclopentan-1-one
SMILESC=CCC1(CCCCO[Si](C)(C)C(C)(C)C)CCCC1=O
InChIInChI=1S/C18H34O2Si/c1-7-12-18(14-10-11-16(18)19)13-8-9-15-20-21(5,6)17(2,3)4/h7H,1,8-15H2,2-6H3
InChIKeyYESLTBLUVLBRMK-UHFFFAOYSA-N
MW310.55 g/mol
LogP5.49
Rot. Bonds8

About 2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-prop-2-enylcyclopentan-1-one

2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-prop-2-enylcyclopentan-1-one (PubChem CID 101059159) has the molecular formula C18H34O2Si and a molecular weight of 310.55 g/mol. Its IUPAC name is 2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-prop-2-enylcyclopentan-1-one.

Molecular Properties

Compound Name2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-prop-2-enylcyclopentan-1-one
PubChem CID101059159
Molecular FormulaC18H34O2Si
Molecular Weight310.55 g/mol
Exact Mass310.23
IUPAC Name2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-prop-2-enylcyclopentan-1-one
SMILESC=CCC1(CCCCO[Si](C)(C)C(C)(C)C)CCCC1=O
InChIInChI=1S/C18H34O2Si/c1-7-12-18(14-10-11-16(18)19)13-8-9-15-20-21(5,6)17(2,3)4/h7H,1,8-15H2,2-6H3
InChIKeyYESLTBLUVLBRMK-UHFFFAOYSA-N
XLogP5.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.55
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

(3R)-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-3-methylcyclohexan-1-one
CID 131746606
2-but-3-enyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexane-1,3-dione
CID 101240480
tert-butyl-dimethyl-octadec-17-enoxysilane
CID 24879926
2-(hydroxymethyl)-2-prop-2-enylcyclopentan-1-one
CID 45098397
3-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylidenecyclopentyl]propan-1-ol
CID 85394039
tert-butyl-dimethyl-(6-prop-2-enoxyhexoxy)silane
CID 11208040
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]-dimethylsilane
CID 6430197
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127
tert-butyl-(6-ethenoxyhexoxy)-dimethylsilane
CID 71372427
(4R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxetan-2-one
CID 162507915
2,6-bis[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclohexan-1-one
CID 10928807

Frequently Asked Questions

What is the IUPAC name of 2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-prop-2-enylcyclopentan-1-one?
The IUPAC name of 2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-prop-2-enylcyclopentan-1-one (CID 101059159) is 2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-prop-2-enylcyclopentan-1-one.
What is the SMILES notation for 2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-prop-2-enylcyclopentan-1-one?
The canonical SMILES for 2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-prop-2-enylcyclopentan-1-one is C=CCC1(CCCCO[Si](C)(C)C(C)(C)C)CCCC1=O.
What is the InChIKey of 2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-prop-2-enylcyclopentan-1-one?
The InChIKey is YESLTBLUVLBRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2Si/c1-7-12-18(14-10-11-16(18)19)13-8-9-15-20-21(5,6)17(2,3)4/h7H,1,8-15H2,2-6H3.
What are the key properties of 2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-prop-2-enylcyclopentan-1-one?
2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-prop-2-enylcyclopentan-1-one has a molecular weight of 310.55 g/mol, XLogP of 5.49, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-prop-2-enylcyclopentan-1-one is sourced from PubChem (CID 101059159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).