(1S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-ol

C18H40O3Si2 — CID 66798071

IUPAC(1S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1C[C@H](O)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H40O3Si2/c1-17(2,3)22(7,8)20-13-14-11-15(19)12-16(14)21-23(9,10)18(4,5)6/h14-16,19H,11-13H2,1-10H3/t14-,15-,16-/m0/s1
InChIKeyVHFWERKFYAZSQQ-JYJNAYRXSA-N
MW360.69 g/mol
LogP5.17
Rot. Bonds5

About (1S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-ol

(1S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-ol (PubChem CID 66798071) has the molecular formula C18H40O3Si2 and a molecular weight of 360.69 g/mol. Its IUPAC name is (1S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name(1S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-ol
PubChem CID66798071
Molecular FormulaC18H40O3Si2
Molecular Weight360.69 g/mol
Exact Mass360.25
IUPAC Name(1S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1C[C@H](O)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H40O3Si2/c1-17(2,3)22(7,8)20-13-14-11-15(19)12-16(14)21-23(9,10)18(4,5)6/h14-16,19H,11-13H2,1-10H3/t14-,15-,16-/m0/s1
InChIKeyVHFWERKFYAZSQQ-JYJNAYRXSA-N
XLogP5.17
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.69
LogP ≤ 55.17
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,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-ol?
The IUPAC name of (1S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-ol (CID 66798071) is (1S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-ol.
What is the SMILES notation for (1S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-ol?
The canonical SMILES for (1S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-ol is CC(C)(C)[Si](C)(C)OC[C@@H]1C[C@H](O)C[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (1S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-ol?
The InChIKey is VHFWERKFYAZSQQ-JYJNAYRXSA-N. The full InChI is InChI=1S/C18H40O3Si2/c1-17(2,3)22(7,8)20-13-14-11-15(19)12-16(14)21-23(9,10)18(4,5)6/h14-16,19H,11-13H2,1-10H3/t14-,15-,16-/m0/s1.
What are the key properties of (1S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-ol?
(1S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-ol has a molecular weight of 360.69 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentan-1-ol is sourced from PubChem (CID 66798071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).