2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-methylcyclopent-2-en-1-one

C15H28O2Si — CID 90444318

IUPAC2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-methylcyclopent-2-en-1-one
SMILESCC1=C(CCCO[Si](C)(C)C(C)(C)C)C(=O)CC1
InChIInChI=1S/C15H28O2Si/c1-12-9-10-14(16)13(12)8-7-11-17-18(5,6)15(2,3)4/h7-11H2,1-6H3
InChIKeyCABZXXAUAUKCGD-UHFFFAOYSA-N
MW268.47 g/mol
LogP4.47
Rot. Bonds5

About 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-methylcyclopent-2-en-1-one

2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-methylcyclopent-2-en-1-one (PubChem CID 90444318) has the molecular formula C15H28O2Si and a molecular weight of 268.47 g/mol. Its IUPAC name is 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-methylcyclopent-2-en-1-one.

Molecular Properties

Compound Name2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-methylcyclopent-2-en-1-one
PubChem CID90444318
Molecular FormulaC15H28O2Si
Molecular Weight268.47 g/mol
Exact Mass268.19
IUPAC Name2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-methylcyclopent-2-en-1-one
SMILESCC1=C(CCCO[Si](C)(C)C(C)(C)C)C(=O)CC1
InChIInChI=1S/C15H28O2Si/c1-12-9-10-14(16)13(12)8-7-11-17-18(5,6)15(2,3)4/h7-11H2,1-6H3
InChIKeyCABZXXAUAUKCGD-UHFFFAOYSA-N
XLogP4.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 54.47
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 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-methylcyclopent-2-en-1-one?
The IUPAC name of 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-methylcyclopent-2-en-1-one (CID 90444318) is 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-methylcyclopent-2-en-1-one.
What is the SMILES notation for 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-methylcyclopent-2-en-1-one?
The canonical SMILES for 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-methylcyclopent-2-en-1-one is CC1=C(CCCO[Si](C)(C)C(C)(C)C)C(=O)CC1.
What is the InChIKey of 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-methylcyclopent-2-en-1-one?
The InChIKey is CABZXXAUAUKCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2Si/c1-12-9-10-14(16)13(12)8-7-11-17-18(5,6)15(2,3)4/h7-11H2,1-6H3.
What are the key properties of 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-methylcyclopent-2-en-1-one?
2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-methylcyclopent-2-en-1-one has a molecular weight of 268.47 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-methylcyclopent-2-en-1-one is sourced from PubChem (CID 90444318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).