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

C14H26O2Si — CID 102202991

IUPAC3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]cyclopent-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)OCCCC1=CC(=O)CC1
InChIInChI=1S/C14H26O2Si/c1-14(2,3)17(4,5)16-10-6-7-12-8-9-13(15)11-12/h11H,6-10H2,1-5H3
InChIKeyOPBHTFWBBRZGPT-UHFFFAOYSA-N
MW254.45 g/mol
LogP4.08
Rot. Bonds5

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

3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]cyclopent-2-en-1-one (PubChem CID 102202991) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is 3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]cyclopent-2-en-1-one
PubChem CID102202991
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Name3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]cyclopent-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)OCCCC1=CC(=O)CC1
InChIInChI=1S/C14H26O2Si/c1-14(2,3)17(4,5)16-10-6-7-12-8-9-13(15)11-12/h11H,6-10H2,1-5H3
InChIKeyOPBHTFWBBRZGPT-UHFFFAOYSA-N
XLogP4.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
LogP ≤ 54.08
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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Related Compounds

3-[[(Tert-butyldimethylsilyl)oxy]methyl]-2-cyclopentenone
CID 15649271
3-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-2-en-1-one
CID 15649272
3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-2-en-1-one
CID 11184065
3-[4-[Tert-butyl(dimethyl)silyl]oxy-2-ethylbutyl]cyclopent-2-en-1-one
CID 49793347
(E)-1-[tert-butyl(dimethyl)silyl]oxytridec-5-en-7-one
CID 101738214
(E)-8-[tert-butyl(dimethyl)silyl]oxy-4-ethyltridec-3-en-7-one
CID 102321146
3-Ethyl-4-triethylsilyloxycyclohex-2-en-1-one
CID 134966340
3-Butyl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one
CID 12653997
4-[Tert-butyl(dimethyl)silyl]oxy-3-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]cyclopent-2-en-1-one
CID 13216819
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]cyclopent-2-en-1-one
CID 13216820
2-[3-[Tert-butyl(dimethyl)silyl]oxypropyl]cyclohex-2-en-1-one
CID 13739584
(RS)-4-tert-butyldimethylsilyloxy-3-methyl-2-(2-propenyl)cyclopent-2-ene-1-one
CID 19428659

Frequently Asked Questions

What is the IUPAC name of 3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]cyclopent-2-en-1-one?
The IUPAC name of 3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]cyclopent-2-en-1-one (CID 102202991) is 3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]cyclopent-2-en-1-one.
What is the SMILES notation for 3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]cyclopent-2-en-1-one?
The canonical SMILES for 3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]cyclopent-2-en-1-one is CC(C)(C)[Si](C)(C)OCCCC1=CC(=O)CC1.
What is the InChIKey of 3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]cyclopent-2-en-1-one?
The InChIKey is OPBHTFWBBRZGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-14(2,3)17(4,5)16-10-6-7-12-8-9-13(15)11-12/h11H,6-10H2,1-5H3.
What are the key properties of 3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]cyclopent-2-en-1-one?
3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]cyclopent-2-en-1-one has a molecular weight of 254.45 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]cyclopent-2-en-1-one is sourced from PubChem (CID 102202991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).