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

C18H34O2Si — CID 14136546

IUPAC(2S,3S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenyl-4-methyl-2-propan-2-ylcyclopentan-1-one
SMILESC=C[C@H]1[C@H](C(C)C)C(=O)C[C@]1(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/t14-,16-,18+/m0/s1
InChIKeyHFYGITYBXAEOCJ-QILLFSRXSA-N
MW310.55 g/mol
LogP5.06
Rot. Bonds5

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

(2S,3S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenyl-4-methyl-2-propan-2-ylcyclopentan-1-one (PubChem CID 14136546) has the molecular formula C18H34O2Si and a molecular weight of 310.55 g/mol. Its IUPAC name is (2S,3S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenyl-4-methyl-2-propan-2-ylcyclopentan-1-one.

Molecular Properties

Compound Name(2S,3S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenyl-4-methyl-2-propan-2-ylcyclopentan-1-one
PubChem CID14136546
Molecular FormulaC18H34O2Si
Molecular Weight310.55 g/mol
Exact Mass310.23
IUPAC Name(2S,3S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenyl-4-methyl-2-propan-2-ylcyclopentan-1-one
SMILESC=C[C@H]1[C@H](C(C)C)C(=O)C[C@]1(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/t14-,16-,18+/m0/s1
InChIKeyHFYGITYBXAEOCJ-QILLFSRXSA-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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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenyl-4-methyl-2-propan-2-ylcyclopentan-1-one?
The IUPAC name of (2S,3S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenyl-4-methyl-2-propan-2-ylcyclopentan-1-one (CID 14136546) is (2S,3S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenyl-4-methyl-2-propan-2-ylcyclopentan-1-one.
What is the SMILES notation for (2S,3S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenyl-4-methyl-2-propan-2-ylcyclopentan-1-one?
The canonical SMILES for (2S,3S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenyl-4-methyl-2-propan-2-ylcyclopentan-1-one is C=C[C@H]1[C@H](C(C)C)C(=O)C[C@]1(C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,3S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenyl-4-methyl-2-propan-2-ylcyclopentan-1-one?
The InChIKey is HFYGITYBXAEOCJ-QILLFSRXSA-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/t14-,16-,18+/m0/s1.
What are the key properties of (2S,3S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenyl-4-methyl-2-propan-2-ylcyclopentan-1-one?
(2S,3S,4S)-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 (2S,3S,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-ethenyl-4-methyl-2-propan-2-ylcyclopentan-1-one is sourced from PubChem (CID 14136546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).