4-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-3,4-dimethylcyclopent-2-en-1-one

C18H34O2Si — CID 10566966

IUPAC4-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-3,4-dimethylcyclopent-2-en-1-one
SMILESCC1=CC(=O)CC1(C)CCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34O2Si/c1-15-13-16(19)14-18(15,5)11-9-8-10-12-20-21(6,7)17(2,3)4/h13H,8-12,14H2,1-7H3
InChIKeyABDBBQJPCIOVFW-UHFFFAOYSA-N
MW310.55 g/mol
LogP5.49
Rot. Bonds7

About 4-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-3,4-dimethylcyclopent-2-en-1-one

4-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-3,4-dimethylcyclopent-2-en-1-one (PubChem CID 10566966) has the molecular formula C18H34O2Si and a molecular weight of 310.55 g/mol. Its IUPAC name is 4-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-3,4-dimethylcyclopent-2-en-1-one.

Molecular Properties

Compound Name4-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-3,4-dimethylcyclopent-2-en-1-one
PubChem CID10566966
Molecular FormulaC18H34O2Si
Molecular Weight310.55 g/mol
Exact Mass310.23
IUPAC Name4-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-3,4-dimethylcyclopent-2-en-1-one
SMILESCC1=CC(=O)CC1(C)CCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34O2Si/c1-15-13-16(19)14-18(15,5)11-9-8-10-12-20-21(6,7)17(2,3)4/h13H,8-12,14H2,1-7H3
InChIKeyABDBBQJPCIOVFW-UHFFFAOYSA-N
XLogP5.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-3,4-dimethylcyclopent-2-en-1-one?
The IUPAC name of 4-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-3,4-dimethylcyclopent-2-en-1-one (CID 10566966) is 4-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-3,4-dimethylcyclopent-2-en-1-one.
What is the SMILES notation for 4-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-3,4-dimethylcyclopent-2-en-1-one?
The canonical SMILES for 4-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-3,4-dimethylcyclopent-2-en-1-one is CC1=CC(=O)CC1(C)CCCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-3,4-dimethylcyclopent-2-en-1-one?
The InChIKey is ABDBBQJPCIOVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2Si/c1-15-13-16(19)14-18(15,5)11-9-8-10-12-20-21(6,7)17(2,3)4/h13H,8-12,14H2,1-7H3.
What are the key properties of 4-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-3,4-dimethylcyclopent-2-en-1-one?
4-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-3,4-dimethylcyclopent-2-en-1-one has a molecular weight of 310.55 g/mol, XLogP of 5.49, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-3,4-dimethylcyclopent-2-en-1-one is sourced from PubChem (CID 10566966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).