(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-3-methylcyclopent-2-en-1-one

C14H26O2Si — CID 67642304

IUPAC(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-3-methylcyclopent-2-en-1-one
SMILESCCC1=C(C)[C@@H](O[Si](C)(C)C(C)(C)C)CC1=O
InChIInChI=1S/C14H26O2Si/c1-8-11-10(2)13(9-12(11)15)16-17(6,7)14(3,4)5/h13H,8-9H2,1-7H3/t13-/m0/s1
InChIKeyIRRIWFLWLOZNOZ-ZDUSSCGKSA-N
MW254.45 g/mol
LogP4.08
Rot. Bonds3

About (4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-3-methylcyclopent-2-en-1-one

(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-3-methylcyclopent-2-en-1-one (PubChem CID 67642304) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is (4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-3-methylcyclopent-2-en-1-one.

Molecular Properties

Compound Name(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-3-methylcyclopent-2-en-1-one
PubChem CID67642304
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Name(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-3-methylcyclopent-2-en-1-one
SMILESCCC1=C(C)[C@@H](O[Si](C)(C)C(C)(C)C)CC1=O
InChIInChI=1S/C14H26O2Si/c1-8-11-10(2)13(9-12(11)15)16-17(6,7)14(3,4)5/h13H,8-9H2,1-7H3/t13-/m0/s1
InChIKeyIRRIWFLWLOZNOZ-ZDUSSCGKSA-N
XLogP4.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopent-2-en-1-one
CID 11793552
tert-butyl-(3-ethyl-2-methyl-4-methylidenecyclopent-2-en-1-yl)oxy-dimethylsilane
CID 54280344
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroinden-1-one
CID 101128093
2-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-one
CID 14396580
3-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethyl-5-methylidenecyclohexene-1-carbaldehyde
CID 11022793
4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxycyclopent-2-en-1-one
CID 14070870
(4S)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-3-one
CID 68797298
(4S,5S,6aS)-3-butyl-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5,6,6a-tetrahydro-1H-pentalen-2-one
CID 11048429
5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one
CID 13057933
3-methyl-2-pentyl-4-propoxycyclopent-2-en-1-one
CID 13117144
(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylcyclohex-2-en-1-one
CID 23631211
(4S)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one
CID 10708674

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-3-methylcyclopent-2-en-1-one?
The IUPAC name of (4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-3-methylcyclopent-2-en-1-one (CID 67642304) is (4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-3-methylcyclopent-2-en-1-one.
What is the SMILES notation for (4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-3-methylcyclopent-2-en-1-one?
The canonical SMILES for (4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-3-methylcyclopent-2-en-1-one is CCC1=C(C)[C@@H](O[Si](C)(C)C(C)(C)C)CC1=O.
What is the InChIKey of (4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-3-methylcyclopent-2-en-1-one?
The InChIKey is IRRIWFLWLOZNOZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-8-11-10(2)13(9-12(11)15)16-17(6,7)14(3,4)5/h13H,8-9H2,1-7H3/t13-/m0/s1.
What are the key properties of (4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-3-methylcyclopent-2-en-1-one?
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-3-methylcyclopent-2-en-1-one has a molecular weight of 254.45 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-3-methylcyclopent-2-en-1-one is sourced from PubChem (CID 67642304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).