(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

(4S,6R)-4-hydroxy-6-tri(propan-2-yl)silyloxycyclohept-2-en-1-one
CID 10990189
dimethyl-(4-oxocyclopent-2-en-1-yl)oxysilanylium
CID 20672826
(4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-one
CID 11100395
(1S,2S,5S)-2-tri(propan-2-yl)silyloxybicyclo[3.2.1]oct-6-en-3-one
CID 101073665
acetic acid;(1R,4S)-4-tri(propan-2-yl)silyloxycyclopent-2-en-1-ol
CID 71355555
(1'R,2'R,5'S,6'S)-8'-tri(propan-2-yl)silyloxyspiro[cyclopropane-1,11'-tricyclo[4.3.1.12,5]undec-3-ene]-10'-one
CID 146020448
[(1R)-4-oxocyclopent-2-en-1-yl] 4-methylbenzenesulfonate
CID 12702303
4-[tert-butyl(dimethyl)silyl]cyclopent-2-en-1-one
CID 21296243
5-tri(propan-2-yl)silyloxy-1,3-diazinan-2-one
CID 86703131
cyclopenta-2,4-dien-1-yloxy-tri(propan-2-yl)silane
CID 15810782
tert-butyl-dimethyl-[(1R,6R)-6-tri(propan-2-yl)silyloxycyclohept-3-en-1-yl]oxysilane
CID 102052246
1,4a,8,8a-tetrahydronaphthalene-2,7-dione
CID 123164314

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).