(Z,1S)-1-cyclohexyl-1-triethylsilyloxypent-3-en-2-one

C17H32O2Si — CID 134854811

IUPAC(Z,1S)-1-cyclohexyl-1-triethylsilyloxypent-3-en-2-one
SMILESC/C=C\C(=O)[C@@H](O[Si](CC)(CC)CC)C1CCCCC1
InChIInChI=1S/C17H32O2Si/c1-5-12-16(18)17(15-13-10-9-11-14-15)19-20(6-2,7-3)8-4/h5,12,15,17H,6-11,13-14H2,1-4H3/b12-5-/t17-/m0/s1
InChIKeyZZLKKUCHPKWXAK-AVHYGJPMSA-N
MW296.53 g/mol
LogP5.10
Rot. Bonds8

About (Z,1S)-1-cyclohexyl-1-triethylsilyloxypent-3-en-2-one

(Z,1S)-1-cyclohexyl-1-triethylsilyloxypent-3-en-2-one (PubChem CID 134854811) has the molecular formula C17H32O2Si and a molecular weight of 296.53 g/mol. Its IUPAC name is (Z,1S)-1-cyclohexyl-1-triethylsilyloxypent-3-en-2-one.

Molecular Properties

Compound Name(Z,1S)-1-cyclohexyl-1-triethylsilyloxypent-3-en-2-one
PubChem CID134854811
Molecular FormulaC17H32O2Si
Molecular Weight296.53 g/mol
Exact Mass296.22
IUPAC Name(Z,1S)-1-cyclohexyl-1-triethylsilyloxypent-3-en-2-one
SMILESC/C=C\C(=O)[C@@H](O[Si](CC)(CC)CC)C1CCCCC1
InChIInChI=1S/C17H32O2Si/c1-5-12-16(18)17(15-13-10-9-11-14-15)19-20(6-2,7-3)8-4/h5,12,15,17H,6-11,13-14H2,1-4H3/b12-5-/t17-/m0/s1
InChIKeyZZLKKUCHPKWXAK-AVHYGJPMSA-N
XLogP5.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.53
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4S,5E)-5-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoctylidene]-4-prop-2-enylcyclopent-2-en-1-one
CID 138976506
(1S,3E,8E,10E)-1-cyclohexyl-12-methyl-1-triethylsilyloxytrideca-3,8,10-trien-2-one
CID 13186568
(E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxodec-2-enal
CID 102100733
(5S)-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylprop-2-enyl]-2-methyl-5-propan-2-yl-3-prop-2-enylcyclohex-2-en-1-one
CID 134865422
(4S)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]cyclohex-2-en-1-one
CID 135039907
4-(3-((Tert-butyldimethylsilyl)oxy)propyl)-4-(3-methylbut-2-en-1-yl)cyclohex-2-en-1-one
CID 162786833
3-([tert-Butyl(dimethyl)silyl]oxy)-7-isopropenyl-1,4a-dimethyl-4,4a,5,6,7,8-hexahydro-2(3H)-naphthalenone
CID 625954
Bicyclo[4.4.0]dec-1-en-3-one, 2,6-dimethyl-9-isopropenyl-4-triethylsilyloxy-
CID 629252
(E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclohexyldodec-2-en-1-one
CID 10023579
3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyundec-1-enyl]cyclohexan-1-one
CID 10833676
3-[(E)-3-[tert-butyl(dimethyl)silyl]oxydec-1-enyl]cyclohexan-1-one
CID 19042234
3-[3-[Tert-butyl(dimethyl)silyl]oxydec-1-enyl]cyclohexan-1-one
CID 53918542

Frequently Asked Questions

What is the IUPAC name of (Z,1S)-1-cyclohexyl-1-triethylsilyloxypent-3-en-2-one?
The IUPAC name of (Z,1S)-1-cyclohexyl-1-triethylsilyloxypent-3-en-2-one (CID 134854811) is (Z,1S)-1-cyclohexyl-1-triethylsilyloxypent-3-en-2-one.
What is the SMILES notation for (Z,1S)-1-cyclohexyl-1-triethylsilyloxypent-3-en-2-one?
The canonical SMILES for (Z,1S)-1-cyclohexyl-1-triethylsilyloxypent-3-en-2-one is C/C=C\C(=O)[C@@H](O[Si](CC)(CC)CC)C1CCCCC1.
What is the InChIKey of (Z,1S)-1-cyclohexyl-1-triethylsilyloxypent-3-en-2-one?
The InChIKey is ZZLKKUCHPKWXAK-AVHYGJPMSA-N. The full InChI is InChI=1S/C17H32O2Si/c1-5-12-16(18)17(15-13-10-9-11-14-15)19-20(6-2,7-3)8-4/h5,12,15,17H,6-11,13-14H2,1-4H3/b12-5-/t17-/m0/s1.
What are the key properties of (Z,1S)-1-cyclohexyl-1-triethylsilyloxypent-3-en-2-one?
(Z,1S)-1-cyclohexyl-1-triethylsilyloxypent-3-en-2-one has a molecular weight of 296.53 g/mol, XLogP of 5.10, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,1S)-1-cyclohexyl-1-triethylsilyloxypent-3-en-2-one is sourced from PubChem (CID 134854811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).