2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enyl]-4,4-dimethylcyclopentan-1-one

C17H32O2Si — CID 46837534

IUPAC2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enyl]-4,4-dimethylcyclopentan-1-one
SMILESC=C(CO[Si](C)(C)C(C)(C)C)CC1CC(C)(C)CC1=O
InChIInChI=1S/C17H32O2Si/c1-13(12-19-20(7,8)16(2,3)4)9-14-10-17(5,6)11-15(14)18/h14H,1,9-12H2,2-8H3
InChIKeyPUCHUEFSHSHWHV-UHFFFAOYSA-N
MW296.53 g/mol
LogP4.96
Rot. Bonds5

About 2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enyl]-4,4-dimethylcyclopentan-1-one

2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enyl]-4,4-dimethylcyclopentan-1-one (PubChem CID 46837534) has the molecular formula C17H32O2Si and a molecular weight of 296.53 g/mol. Its IUPAC name is 2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enyl]-4,4-dimethylcyclopentan-1-one.

Molecular Properties

Compound Name2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enyl]-4,4-dimethylcyclopentan-1-one
PubChem CID46837534
Molecular FormulaC17H32O2Si
Molecular Weight296.53 g/mol
Exact Mass296.22
IUPAC Name2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enyl]-4,4-dimethylcyclopentan-1-one
SMILESC=C(CO[Si](C)(C)C(C)(C)C)CC1CC(C)(C)CC1=O
InChIInChI=1S/C17H32O2Si/c1-13(12-19-20(7,8)16(2,3)4)9-14-10-17(5,6)11-15(14)18/h14H,1,9-12H2,2-8H3
InChIKeyPUCHUEFSHSHWHV-UHFFFAOYSA-N
XLogP4.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.53
LogP ≤ 54.96
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
2-[4-[[Tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enyl]-2,5-dimethylcyclohexane-1,3-dione
CID 164676287
Cyclohexanone, 2-methyl-5-[1-(t-butyldimethylsilyloxymethyl)ethenyl]-
CID 554858
4-([[Tert-butyl(dimethyl)silyl]oxy]methyl)-2-isopropyl-4-methyl-3-vinylcyclopentanone
CID 14136545
4-[1-[Tert-butyl(dimethyl)silyl]oxyethenyl]spiro[4.5]decan-8-one
CID 90037209
(4R,7S,10S)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-7-prop-1-en-2-ylspiro[4.5]decan-3-one
CID 142416102
(4R,5S,7S,10S)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-7-prop-1-en-2-ylspiro[4.5]decan-3-one
CID 173873474
(5S,7S,10S)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-7-prop-1-en-2-ylspiro[4.5]decan-3-one
CID 173873480
cis-(2S,3S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-methyl-2-prop-2-enylcyclopentan-1-one
CID 174136939
2-[(1R,2R)-2-methyl-3-methylidene-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopentyl]acetaldehyde
CID 10925807
(2S)-2-[2-[(1R,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2-methylidene-5-propan-2-ylcyclopentyl]ethyl]-2-methylcyclohexan-1-one
CID 11984367
(2S,3S,4S)-4-([[Tert-butyl(dimethyl)silyl]oxy]methyl)-2-isopropyl-4-methyl-3-vinylcyclopentanone
CID 14136546

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enyl]-4,4-dimethylcyclopentan-1-one?
The IUPAC name of 2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enyl]-4,4-dimethylcyclopentan-1-one (CID 46837534) is 2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enyl]-4,4-dimethylcyclopentan-1-one.
What is the SMILES notation for 2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enyl]-4,4-dimethylcyclopentan-1-one?
The canonical SMILES for 2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enyl]-4,4-dimethylcyclopentan-1-one is C=C(CO[Si](C)(C)C(C)(C)C)CC1CC(C)(C)CC1=O.
What is the InChIKey of 2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enyl]-4,4-dimethylcyclopentan-1-one?
The InChIKey is PUCHUEFSHSHWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2Si/c1-13(12-19-20(7,8)16(2,3)4)9-14-10-17(5,6)11-15(14)18/h14H,1,9-12H2,2-8H3.
What are the key properties of 2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enyl]-4,4-dimethylcyclopentan-1-one?
2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enyl]-4,4-dimethylcyclopentan-1-one has a molecular weight of 296.53 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enyl]-4,4-dimethylcyclopentan-1-one is sourced from PubChem (CID 46837534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).