(4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2-propan-2-ylcyclopent-2-en-1-one

C16H30O2Si — CID 14136544

IUPAC(4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2-propan-2-ylcyclopent-2-en-1-one
SMILESCC(C)C1=C[C@@](C)(CO[Si](C)(C)C(C)(C)C)CC1=O
InChIInChI=1S/C16H30O2Si/c1-12(2)13-9-16(6,10-14(13)17)11-18-19(7,8)15(3,4)5/h9,12H,10-11H2,1-8H3/t16-/m1/s1
InChIKeyNREYAWUXYJWRNP-MRXNPFEDSA-N
MW282.50 g/mol
LogP4.57
Rot. Bonds4

About (4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2-propan-2-ylcyclopent-2-en-1-one

(4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2-propan-2-ylcyclopent-2-en-1-one (PubChem CID 14136544) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is (4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2-propan-2-ylcyclopent-2-en-1-one.

Molecular Properties

Compound Name(4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2-propan-2-ylcyclopent-2-en-1-one
PubChem CID14136544
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Name(4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2-propan-2-ylcyclopent-2-en-1-one
SMILESCC(C)C1=C[C@@](C)(CO[Si](C)(C)C(C)(C)C)CC1=O
InChIInChI=1S/C16H30O2Si/c1-12(2)13-9-16(6,10-14(13)17)11-18-19(7,8)15(3,4)5/h9,12H,10-11H2,1-8H3/t16-/m1/s1
InChIKeyNREYAWUXYJWRNP-MRXNPFEDSA-N
XLogP4.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.57
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

4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylpyrrolidin-2-one
CID 153401151
4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dimethylpyrrolidin-2-one
CID 153401170
3-[tert-butyl(dimethyl)silyl]-5,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dihydropentalen-2-one
CID 10940310
(3aS,7aR)-3a-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,7a-dimethyl-2,3,4,5-tetrahydroinden-1-one
CID 11130650
(2aR,7aS)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-2a-methyl-2,7-dihydrocyclobuta[a]inden-1-one
CID 11666836
(4R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxetan-2-one
CID 162507915
1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4-dichloro-5-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 172628478
[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl] formate
CID 88528246
1,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4-dichloro-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 172628559
3-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-one
CID 15649271
2-but-3-enyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexane-1,3-dione
CID 101240480
(4R,5S)-4-[(E)-but-2-enyl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,5-dimethylcyclohex-2-en-1-one
CID 101260348

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2-propan-2-ylcyclopent-2-en-1-one?
The IUPAC name of (4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2-propan-2-ylcyclopent-2-en-1-one (CID 14136544) is (4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2-propan-2-ylcyclopent-2-en-1-one.
What is the SMILES notation for (4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2-propan-2-ylcyclopent-2-en-1-one?
The canonical SMILES for (4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2-propan-2-ylcyclopent-2-en-1-one is CC(C)C1=C[C@@](C)(CO[Si](C)(C)C(C)(C)C)CC1=O.
What is the InChIKey of (4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2-propan-2-ylcyclopent-2-en-1-one?
The InChIKey is NREYAWUXYJWRNP-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-12(2)13-9-16(6,10-14(13)17)11-18-19(7,8)15(3,4)5/h9,12H,10-11H2,1-8H3/t16-/m1/s1.
What are the key properties of (4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2-propan-2-ylcyclopent-2-en-1-one?
(4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-2-propan-2-ylcyclopent-2-en-1-one has a molecular weight of 282.50 g/mol, XLogP of 4.57, 4 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]oxymethyl]-4-methyl-2-propan-2-ylcyclopent-2-en-1-one is sourced from PubChem (CID 14136544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).