cis-(2S,3S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyl-3-propan-2-ylcyclopentan-1-one

C17H34O2Si — CID 10913561

IUPACcis-(2S,3S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyl-3-propan-2-ylcyclopentan-1-one
SMILESCC(C)[C@@H]1CCC(=O)[C@@]1(C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O2Si/c1-13(2)14-9-10-15(18)17(14,6)11-12-19-20(7,8)16(3,4)5/h13-14H,9-12H2,1-8H3/t14-,17-/m0/s1
InChIKeyQWMBMPOGQHHPSJ-YOEHRIQHSA-N
MW298.54 g/mol
LogP5.04
Rot. Bonds5

About cis-(2S,3S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyl-3-propan-2-ylcyclopentan-1-one

cis-(2S,3S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyl-3-propan-2-ylcyclopentan-1-one (PubChem CID 10913561) has the molecular formula C17H34O2Si and a molecular weight of 298.54 g/mol. Its IUPAC name is cis-(2S,3S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyl-3-propan-2-ylcyclopentan-1-one.

Molecular Properties

Compound Namecis-(2S,3S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyl-3-propan-2-ylcyclopentan-1-one
PubChem CID10913561
Molecular FormulaC17H34O2Si
Molecular Weight298.54 g/mol
Exact Mass298.23
IUPAC Namecis-(2S,3S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyl-3-propan-2-ylcyclopentan-1-one
SMILESCC(C)[C@@H]1CCC(=O)[C@@]1(C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O2Si/c1-13(2)14-9-10-15(18)17(14,6)11-12-19-20(7,8)16(3,4)5/h13-14H,9-12H2,1-8H3/t14-,17-/m0/s1
InChIKeyQWMBMPOGQHHPSJ-YOEHRIQHSA-N
XLogP5.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.54
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-(2S,3S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyl-3-propan-2-ylcyclopentan-1-one?
The IUPAC name of cis-(2S,3S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyl-3-propan-2-ylcyclopentan-1-one (CID 10913561) is cis-(2S,3S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyl-3-propan-2-ylcyclopentan-1-one.
What is the SMILES notation for cis-(2S,3S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyl-3-propan-2-ylcyclopentan-1-one?
The canonical SMILES for cis-(2S,3S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyl-3-propan-2-ylcyclopentan-1-one is CC(C)[C@@H]1CCC(=O)[C@@]1(C)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of cis-(2S,3S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyl-3-propan-2-ylcyclopentan-1-one?
The InChIKey is QWMBMPOGQHHPSJ-YOEHRIQHSA-N. The full InChI is InChI=1S/C17H34O2Si/c1-13(2)14-9-10-15(18)17(14,6)11-12-19-20(7,8)16(3,4)5/h13-14H,9-12H2,1-8H3/t14-,17-/m0/s1.
What are the key properties of cis-(2S,3S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyl-3-propan-2-ylcyclopentan-1-one?
cis-(2S,3S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyl-3-propan-2-ylcyclopentan-1-one has a molecular weight of 298.54 g/mol, XLogP of 5.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2S,3S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyl-3-propan-2-ylcyclopentan-1-one is sourced from PubChem (CID 10913561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).