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

C17H36O2Si — CID 11208822

IUPAC(1R,2S,3S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyl-3-propan-2-ylcyclopentan-1-ol
SMILESCC(C)[C@@H]1CC[C@@H](O)[C@@]1(C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36O2Si/c1-13(2)14-9-10-15(18)17(14,6)11-12-19-20(7,8)16(3,4)5/h13-15,18H,9-12H2,1-8H3/t14-,15+,17-/m0/s1
InChIKeyIIENWFMGYIFTKX-UXLLHSPISA-N
MW300.56 g/mol
LogP4.83
Rot. Bonds5

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

(1R,2S,3S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyl-3-propan-2-ylcyclopentan-1-ol (PubChem CID 11208822) has the molecular formula C17H36O2Si and a molecular weight of 300.56 g/mol. Its IUPAC name is (1R,2S,3S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyl-3-propan-2-ylcyclopentan-1-ol.

Molecular Properties

Compound Name(1R,2S,3S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyl-3-propan-2-ylcyclopentan-1-ol
PubChem CID11208822
Molecular FormulaC17H36O2Si
Molecular Weight300.56 g/mol
Exact Mass300.25
IUPAC Name(1R,2S,3S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyl-3-propan-2-ylcyclopentan-1-ol
SMILESCC(C)[C@@H]1CC[C@@H](O)[C@@]1(C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36O2Si/c1-13(2)14-9-10-15(18)17(14,6)11-12-19-20(7,8)16(3,4)5/h13-15,18H,9-12H2,1-8H3/t14-,15+,17-/m0/s1
InChIKeyIIENWFMGYIFTKX-UXLLHSPISA-N
XLogP4.83
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.56
LogP ≤ 54.83
H-Bond Donors ≤ 51
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 (1R,2S,3S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyl-3-propan-2-ylcyclopentan-1-ol?
The IUPAC name of (1R,2S,3S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyl-3-propan-2-ylcyclopentan-1-ol (CID 11208822) is (1R,2S,3S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyl-3-propan-2-ylcyclopentan-1-ol.
What is the SMILES notation for (1R,2S,3S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyl-3-propan-2-ylcyclopentan-1-ol?
The canonical SMILES for (1R,2S,3S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyl-3-propan-2-ylcyclopentan-1-ol is CC(C)[C@@H]1CC[C@@H](O)[C@@]1(C)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (1R,2S,3S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyl-3-propan-2-ylcyclopentan-1-ol?
The InChIKey is IIENWFMGYIFTKX-UXLLHSPISA-N. The full InChI is InChI=1S/C17H36O2Si/c1-13(2)14-9-10-15(18)17(14,6)11-12-19-20(7,8)16(3,4)5/h13-15,18H,9-12H2,1-8H3/t14-,15+,17-/m0/s1.
What are the key properties of (1R,2S,3S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyl-3-propan-2-ylcyclopentan-1-ol?
(1R,2S,3S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyl-3-propan-2-ylcyclopentan-1-ol has a molecular weight of 300.56 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methyl-3-propan-2-ylcyclopentan-1-ol is sourced from PubChem (CID 11208822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).