4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenyl-4-methyl-2-propan-2-ylcyclopentan-1-one

C18H34O2Si — CID 14136545

IUPAC4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenyl-4-methyl-2-propan-2-ylcyclopentan-1-one
SMILESC=CC1C(C(C)C)C(=O)CC1(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34O2Si/c1-10-14-16(13(2)3)15(19)11-18(14,7)12-20-21(8,9)17(4,5)6/h10,13-14,16H,1,11-12H2,2-9H3
InChIKeyHFYGITYBXAEOCJ-UHFFFAOYSA-N
MW310.55 g/mol
LogP5.06
Rot. Bonds5

About 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenyl-4-methyl-2-propan-2-ylcyclopentan-1-one

4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenyl-4-methyl-2-propan-2-ylcyclopentan-1-one (PubChem CID 14136545) has the molecular formula C18H34O2Si and a molecular weight of 310.55 g/mol. Its IUPAC name is 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenyl-4-methyl-2-propan-2-ylcyclopentan-1-one.

Molecular Properties

Compound Name4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenyl-4-methyl-2-propan-2-ylcyclopentan-1-one
PubChem CID14136545
Molecular FormulaC18H34O2Si
Molecular Weight310.55 g/mol
Exact Mass310.23
IUPAC Name4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenyl-4-methyl-2-propan-2-ylcyclopentan-1-one
SMILESC=CC1C(C(C)C)C(=O)CC1(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34O2Si/c1-10-14-16(13(2)3)15(19)11-18(14,7)12-20-21(8,9)17(4,5)6/h10,13-14,16H,1,11-12H2,2-9H3
InChIKeyHFYGITYBXAEOCJ-UHFFFAOYSA-N
XLogP5.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.55
LogP ≤ 55.06
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,3S,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-4-prop-1-en-2-ylcyclopentan-1-one
CID 101390850
1-[(1R,2S,3S,4S)-3-[2-tri(propan-2-yl)silyloxyethyl]-2-bicyclo[2.2.1]hept-5-enyl]prop-2-en-1-one
CID 11703011
(1R,2R,5S,6R,7S)-5-[tri(propan-2-yl)silyloxymethyl]tricyclo[5.2.1.02,6]dec-8-en-3-one
CID 25112090
2-[2-[[Tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enyl]-4,4-dimethylcyclopentan-1-one
CID 46837534
(1R,3aR,8Z,9aR)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-3,3a,4,6,7,9a-hexahydro-1H-cyclopenta[8]annulen-5-one
CID 53472949
(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
cis-(2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[(E)-7-hydroxy-4-methylhept-3-enyl]-2-methylcyclopentan-1-one
CID 134864287
(7R,7aR)-3a-but-3-enyl-4,7-dimethyl-5-tri(propan-2-yl)silyloxy-3,4,7,7a-tetrahydro-2H-inden-1-one
CID 166446008
(4S,5S)-3,3,7-trimethyl-8-((triethylsilyl)oxy)-4-vinylspiro[4.5]dec-7-en-1-one
CID 167311407
(1R,5R,6R,8S)-5-[tert-butyl(dimethyl)silyl]oxy-1,8,9,9-tetramethyl-8-prop-2-enylbicyclo[4.2.1]nonan-7-one
CID 10361443
4-[1-[Tert-butyl(dimethyl)silyl]oxyethenyl]spiro[4.5]decan-8-one
CID 90037209
4-[Hex-5-enyl-di(propan-2-yl)silyl]oxy-2-methyl-2,3,3a,4,5,6,7,7a-octahydroinden-1-one
CID 140476948

Frequently Asked Questions

What is the IUPAC name of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenyl-4-methyl-2-propan-2-ylcyclopentan-1-one?
The IUPAC name of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenyl-4-methyl-2-propan-2-ylcyclopentan-1-one (CID 14136545) is 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenyl-4-methyl-2-propan-2-ylcyclopentan-1-one.
What is the SMILES notation for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenyl-4-methyl-2-propan-2-ylcyclopentan-1-one?
The canonical SMILES for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenyl-4-methyl-2-propan-2-ylcyclopentan-1-one is C=CC1C(C(C)C)C(=O)CC1(C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenyl-4-methyl-2-propan-2-ylcyclopentan-1-one?
The InChIKey is HFYGITYBXAEOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2Si/c1-10-14-16(13(2)3)15(19)11-18(14,7)12-20-21(8,9)17(4,5)6/h10,13-14,16H,1,11-12H2,2-9H3.
What are the key properties of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenyl-4-methyl-2-propan-2-ylcyclopentan-1-one?
4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenyl-4-methyl-2-propan-2-ylcyclopentan-1-one has a molecular weight of 310.55 g/mol, XLogP of 5.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenyl-4-methyl-2-propan-2-ylcyclopentan-1-one is sourced from PubChem (CID 14136545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).