(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-prop-1-enyl]cyclohex-2-en-1-one

C15H26O2Si — CID 46919446

IUPAC(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-prop-1-enyl]cyclohex-2-en-1-one
SMILESC/C=C\C1=C[C@@H](O[Si](C)(C)C(C)(C)C)CCC1=O
InChIInChI=1S/C15H26O2Si/c1-7-8-12-11-13(9-10-14(12)16)17-18(5,6)15(2,3)4/h7-8,11,13H,9-10H2,1-6H3/b8-7-/t13-/m0/s1
InChIKeyAFOFJYORPABRTG-WSROAFLRSA-N
MW266.46 g/mol
LogP4.24
Rot. Bonds3

About (4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-prop-1-enyl]cyclohex-2-en-1-one

(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-prop-1-enyl]cyclohex-2-en-1-one (PubChem CID 46919446) has the molecular formula C15H26O2Si and a molecular weight of 266.46 g/mol. Its IUPAC name is (4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-prop-1-enyl]cyclohex-2-en-1-one.

Molecular Properties

Compound Name(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-prop-1-enyl]cyclohex-2-en-1-one
PubChem CID46919446
Molecular FormulaC15H26O2Si
Molecular Weight266.46 g/mol
Exact Mass266.17
IUPAC Name(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-prop-1-enyl]cyclohex-2-en-1-one
SMILESC/C=C\C1=C[C@@H](O[Si](C)(C)C(C)(C)C)CCC1=O
InChIInChI=1S/C15H26O2Si/c1-7-8-12-11-13(9-10-14(12)16)17-18(5,6)15(2,3)4/h7-8,11,13H,9-10H2,1-6H3/b8-7-/t13-/m0/s1
InChIKeyAFOFJYORPABRTG-WSROAFLRSA-N
XLogP4.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.46
LogP ≤ 54.24
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

(4R)-4-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-one
CID 10911273
(4S)-4-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-one
CID 11096317
2-Cyclohexen-1-one, 2-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-
CID 11230203
2-Cyclohexen-1-one, 4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 11345167
(4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-one
CID 12052560
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylcyclohex-2-en-1-one
CID 12666238
4-((tert-Butyldimethylsilyl)oxy)-3-methylcyclohex-2-en-1-one
CID 12666239
(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclohex-2-en-1-one
CID 17752397
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-one
CID 24814599
3-Ethyl-4-triethylsilyloxycyclohex-2-en-1-one
CID 134966340
1-Cyclopenten-3-one, 1-(3-methoxy-1-(E)-octenyl)-2-trimethylsilyl-
CID 5376391
3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-methylcyclopent-2-en-1-one
CID 10427154

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-prop-1-enyl]cyclohex-2-en-1-one?
The IUPAC name of (4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-prop-1-enyl]cyclohex-2-en-1-one (CID 46919446) is (4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-prop-1-enyl]cyclohex-2-en-1-one.
What is the SMILES notation for (4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-prop-1-enyl]cyclohex-2-en-1-one?
The canonical SMILES for (4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-prop-1-enyl]cyclohex-2-en-1-one is C/C=C\C1=C[C@@H](O[Si](C)(C)C(C)(C)C)CCC1=O.
What is the InChIKey of (4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-prop-1-enyl]cyclohex-2-en-1-one?
The InChIKey is AFOFJYORPABRTG-WSROAFLRSA-N. The full InChI is InChI=1S/C15H26O2Si/c1-7-8-12-11-13(9-10-14(12)16)17-18(5,6)15(2,3)4/h7-8,11,13H,9-10H2,1-6H3/b8-7-/t13-/m0/s1.
What are the key properties of (4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-prop-1-enyl]cyclohex-2-en-1-one?
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-prop-1-enyl]cyclohex-2-en-1-one has a molecular weight of 266.46 g/mol, XLogP of 4.24, 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-[(Z)-prop-1-enyl]cyclohex-2-en-1-one is sourced from PubChem (CID 46919446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).