(4S)-4-tri(propan-2-yl)silyloxycyclopent-2-en-1-one

C14H26O2Si — CID 11817669

IUPAC(4S)-4-tri(propan-2-yl)silyloxycyclopent-2-en-1-one
SMILESCC(C)[Si](O[C@@H]1C=CC(=O)C1)(C(C)C)C(C)C
InChIInChI=1S/C14H26O2Si/c1-10(2)17(11(3)4,12(5)6)16-14-8-7-13(15)9-14/h7-8,10-12,14H,9H2,1-6H3/t14-/m1/s1
InChIKeyNJVXKMSYMSYSCQ-CQSZACIVSA-N
MW254.45 g/mol
LogP4.08
Rot. Bonds5

About (4S)-4-tri(propan-2-yl)silyloxycyclopent-2-en-1-one

(4S)-4-tri(propan-2-yl)silyloxycyclopent-2-en-1-one (PubChem CID 11817669) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is (4S)-4-tri(propan-2-yl)silyloxycyclopent-2-en-1-one.

Molecular Properties

Compound Name(4S)-4-tri(propan-2-yl)silyloxycyclopent-2-en-1-one
PubChem CID11817669
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Name(4S)-4-tri(propan-2-yl)silyloxycyclopent-2-en-1-one
SMILESCC(C)[Si](O[C@@H]1C=CC(=O)C1)(C(C)C)C(C)C
InChIInChI=1S/C14H26O2Si/c1-10(2)17(11(3)4,12(5)6)16-14-8-7-13(15)9-14/h7-8,10-12,14H,9H2,1-6H3/t14-/m1/s1
InChIKeyNJVXKMSYMSYSCQ-CQSZACIVSA-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': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(S)-4-tert-butyldimethylsilyloxy-2-cyclopenten-1-one
CID 10176717
(4R)-(+)-t-Butyldimethylsiloxy-2-cyclopenten-1-one
CID 2734530
4-((tert-Butyl(dimethyl)silyl)oxy)cyclopent-2-en-1-one
CID 4131699
(4S)-4-{[tert-Butyl(dimethyl)silyl]oxy}-5,5-dimethylcyclopent-2-en-1-one
CID 12964897
4-[Tert-butyl(dimethyl)silyl]oxy-3-methylcyclopent-2-en-1-one
CID 134963516
5-{[tert-Butyl(dimethyl)silyl]oxy}cyclohex-2-en-1-one
CID 10307993
(4R)-4-trimethylsilyloxycyclopent-2-en-1-one
CID 10844889
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodocyclopent-2-en-1-one
CID 11035123
(R)-4-(tert-Butyl-dimethyl-silanyloxy)-2-iodo-cyclopent-2-enone
CID 11099812
5alpha-(tert-Butyldimethylsiloxy)-2-cyclohexen-1-one
CID 11128022
2-(((Tert-butyldimethylsilyl)oxy)methyl)-2-cyclopentenone
CID 13161571
4-{[tert-Butyl(dimethyl)silyl]oxy}-3-fluorocyclopent-2-en-1-one
CID 14177367

Frequently Asked Questions

What is the IUPAC name of (4S)-4-tri(propan-2-yl)silyloxycyclopent-2-en-1-one?
The IUPAC name of (4S)-4-tri(propan-2-yl)silyloxycyclopent-2-en-1-one (CID 11817669) is (4S)-4-tri(propan-2-yl)silyloxycyclopent-2-en-1-one.
What is the SMILES notation for (4S)-4-tri(propan-2-yl)silyloxycyclopent-2-en-1-one?
The canonical SMILES for (4S)-4-tri(propan-2-yl)silyloxycyclopent-2-en-1-one is CC(C)[Si](O[C@@H]1C=CC(=O)C1)(C(C)C)C(C)C.
What is the InChIKey of (4S)-4-tri(propan-2-yl)silyloxycyclopent-2-en-1-one?
The InChIKey is NJVXKMSYMSYSCQ-CQSZACIVSA-N. The full InChI is InChI=1S/C14H26O2Si/c1-10(2)17(11(3)4,12(5)6)16-14-8-7-13(15)9-14/h7-8,10-12,14H,9H2,1-6H3/t14-/m1/s1.
What are the key properties of (4S)-4-tri(propan-2-yl)silyloxycyclopent-2-en-1-one?
(4S)-4-tri(propan-2-yl)silyloxycyclopent-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 (4S)-4-tri(propan-2-yl)silyloxycyclopent-2-en-1-one is sourced from PubChem (CID 11817669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).