(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-nonylcyclopentan-1-one

C21H42O2Si — CID 11394114

IUPAC(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-nonylcyclopentan-1-one
SMILESCCCCCCCCC[C@@]1(CO[Si](C)(C)C(C)(C)C)CCCC1=O
InChIInChI=1S/C21H42O2Si/c1-7-8-9-10-11-12-13-16-21(17-14-15-19(21)22)18-23-24(5,6)20(2,3)4/h7-18H2,1-6H3/t21-/m0/s1
InChIKeyVCOWYCRPLZMMSD-NRFANRHFSA-N
MW354.65 g/mol
LogP6.89
Rot. Bonds11

About (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-nonylcyclopentan-1-one

(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-nonylcyclopentan-1-one (PubChem CID 11394114) has the molecular formula C21H42O2Si and a molecular weight of 354.65 g/mol. Its IUPAC name is (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-nonylcyclopentan-1-one.

Molecular Properties

Compound Name(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-nonylcyclopentan-1-one
PubChem CID11394114
Molecular FormulaC21H42O2Si
Molecular Weight354.65 g/mol
Exact Mass354.30
IUPAC Name(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-nonylcyclopentan-1-one
SMILESCCCCCCCCC[C@@]1(CO[Si](C)(C)C(C)(C)C)CCCC1=O
InChIInChI=1S/C21H42O2Si/c1-7-8-9-10-11-12-13-16-21(17-14-15-19(21)22)18-23-24(5,6)20(2,3)4/h7-18H2,1-6H3/t21-/m0/s1
InChIKeyVCOWYCRPLZMMSD-NRFANRHFSA-N
XLogP6.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.65
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-nonylcyclopentan-1-one?
The IUPAC name of (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-nonylcyclopentan-1-one (CID 11394114) is (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-nonylcyclopentan-1-one.
What is the SMILES notation for (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-nonylcyclopentan-1-one?
The canonical SMILES for (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-nonylcyclopentan-1-one is CCCCCCCCC[C@@]1(CO[Si](C)(C)C(C)(C)C)CCCC1=O.
What is the InChIKey of (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-nonylcyclopentan-1-one?
The InChIKey is VCOWYCRPLZMMSD-NRFANRHFSA-N. The full InChI is InChI=1S/C21H42O2Si/c1-7-8-9-10-11-12-13-16-21(17-14-15-19(21)22)18-23-24(5,6)20(2,3)4/h7-18H2,1-6H3/t21-/m0/s1.
What are the key properties of (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-nonylcyclopentan-1-one?
(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-nonylcyclopentan-1-one has a molecular weight of 354.65 g/mol, XLogP of 6.89, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-nonylcyclopentan-1-one is sourced from PubChem (CID 11394114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).