(1S,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorocyclopentan-1-ol

C18H39FO3Si2 — CID 156903637

IUPAC(1S,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorocyclopentan-1-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@]1(F)[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@@H]1O
InChIInChI=1S/C18H39FO3Si2/c1-16(2,3)23(7,8)21-13-18(19)14(20)11-12-15(18)22-24(9,10)17(4,5)6/h14-15,20H,11-13H2,1-10H3/t14-,15-,18+/m0/s1
InChIKeyLQETYLGPCLLWAI-RLFYNMQTSA-N
MW378.68 g/mol
LogP5.26
Rot. Bonds5

About (1S,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorocyclopentan-1-ol

(1S,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorocyclopentan-1-ol (PubChem CID 156903637) has the molecular formula C18H39FO3Si2 and a molecular weight of 378.68 g/mol. Its IUPAC name is (1S,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorocyclopentan-1-ol.

Molecular Properties

Compound Name(1S,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorocyclopentan-1-ol
PubChem CID156903637
Molecular FormulaC18H39FO3Si2
Molecular Weight378.68 g/mol
Exact Mass378.24
IUPAC Name(1S,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorocyclopentan-1-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@]1(F)[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@@H]1O
InChIInChI=1S/C18H39FO3Si2/c1-16(2,3)23(7,8)21-13-18(19)14(20)11-12-15(18)22-24(9,10)17(4,5)6/h14-15,20H,11-13H2,1-10H3/t14-,15-,18+/m0/s1
InChIKeyLQETYLGPCLLWAI-RLFYNMQTSA-N
XLogP5.26
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.68
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (1S,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorocyclopentan-1-ol?
The IUPAC name of (1S,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorocyclopentan-1-ol (CID 156903637) is (1S,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorocyclopentan-1-ol.
What is the SMILES notation for (1S,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorocyclopentan-1-ol?
The canonical SMILES for (1S,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorocyclopentan-1-ol is CC(C)(C)[Si](C)(C)OC[C@]1(F)[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@@H]1O.
What is the InChIKey of (1S,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorocyclopentan-1-ol?
The InChIKey is LQETYLGPCLLWAI-RLFYNMQTSA-N. The full InChI is InChI=1S/C18H39FO3Si2/c1-16(2,3)23(7,8)21-13-18(19)14(20)11-12-15(18)22-24(9,10)17(4,5)6/h14-15,20H,11-13H2,1-10H3/t14-,15-,18+/m0/s1.
What are the key properties of (1S,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorocyclopentan-1-ol?
(1S,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorocyclopentan-1-ol has a molecular weight of 378.68 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-fluorocyclopentan-1-ol is sourced from PubChem (CID 156903637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).