cis-(2S,3S)-2-but-3-enyl-3-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopentan-1-one

C16H30O2Si — CID 11808159

IUPACcis-(2S,3S)-2-but-3-enyl-3-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopentan-1-one
SMILESC=CCC[C@]1(C)C(=O)CC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O2Si/c1-8-9-12-16(5)13(17)10-11-14(16)18-19(6,7)15(2,3)4/h8,14H,1,9-12H2,2-7H3/t14-,16+/m0/s1
InChIKeyLENPNMZJPHNBIU-GOEBONIOSA-N
MW282.50 g/mol
LogP4.71
Rot. Bonds5

About cis-(2S,3S)-2-but-3-enyl-3-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopentan-1-one

cis-(2S,3S)-2-but-3-enyl-3-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopentan-1-one (PubChem CID 11808159) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is cis-(2S,3S)-2-but-3-enyl-3-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopentan-1-one.

Molecular Properties

Compound Namecis-(2S,3S)-2-but-3-enyl-3-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopentan-1-one
PubChem CID11808159
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Namecis-(2S,3S)-2-but-3-enyl-3-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopentan-1-one
SMILESC=CCC[C@]1(C)C(=O)CC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O2Si/c1-8-9-12-16(5)13(17)10-11-14(16)18-19(6,7)15(2,3)4/h8,14H,1,9-12H2,2-7H3/t14-,16+/m0/s1
InChIKeyLENPNMZJPHNBIU-GOEBONIOSA-N
XLogP4.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[2-[(1S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2-oxo-3-propan-2-ylcyclopentyl]ethyl]-2-methylcyclohex-3-en-1-one
CID 57413056
trans-(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2-prop-2-enylcyclopentan-1-one
CID 134892821
(4S,7R,8S,9S)-4-[tert-butyl(dimethyl)silyl]oxy-5,5,7,8,9-pentamethyldodec-11-ene-2,6-dione
CID 59123698
trans-(3R,4S)-3-[(Z)-oct-2-enyl]-4-triethylsilyloxycyclopentan-1-one
CID 173615268
cis-methyl (1S,2S)-1-but-3-enyl-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate
CID 10543166
trans-(1S,2S)-1-but-3-enyl-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carbaldehyde
CID 10660587
cis-(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-prop-2-enylcyclopentan-1-one
CID 10890471
(1R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-7,9,9-trimethylspiro[4.5]dec-7-en-4-one
CID 10958256
trans-(2S,3R)-2-but-3-enyl-3-hydroxy-2-(2-trimethylsilylethynyl)cyclopentan-1-one
CID 11845013
(2S,4aR,7aS)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4a-prop-2-enyl-2,3,4,6,7,7a-hexahydrocyclopenta[b]pyran-5-one
CID 44246174
trans-(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-pent-4-enyl-2-(2-trimethylsilylethynyl)cyclopentan-1-one
CID 53381778
trans-(2S,3R)-3-hydroxy-2-pent-4-enyl-2-(2-trimethylsilylethynyl)cyclopentan-1-one
CID 53382000

Frequently Asked Questions

What is the IUPAC name of cis-(2S,3S)-2-but-3-enyl-3-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopentan-1-one?
The IUPAC name of cis-(2S,3S)-2-but-3-enyl-3-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopentan-1-one (CID 11808159) is cis-(2S,3S)-2-but-3-enyl-3-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopentan-1-one.
What is the SMILES notation for cis-(2S,3S)-2-but-3-enyl-3-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopentan-1-one?
The canonical SMILES for cis-(2S,3S)-2-but-3-enyl-3-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopentan-1-one is C=CCC[C@]1(C)C(=O)CC[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of cis-(2S,3S)-2-but-3-enyl-3-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopentan-1-one?
The InChIKey is LENPNMZJPHNBIU-GOEBONIOSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-8-9-12-16(5)13(17)10-11-14(16)18-19(6,7)15(2,3)4/h8,14H,1,9-12H2,2-7H3/t14-,16+/m0/s1.
What are the key properties of cis-(2S,3S)-2-but-3-enyl-3-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopentan-1-one?
cis-(2S,3S)-2-but-3-enyl-3-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopentan-1-one has a molecular weight of 282.50 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2S,3S)-2-but-3-enyl-3-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopentan-1-one is sourced from PubChem (CID 11808159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).