(1R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylidenecyclopentan-1-ol

C19H40O3Si2 — CID 56651232

IUPAC(1R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylidenecyclopentan-1-ol
SMILESC=C1[C@H](O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H40O3Si2/c1-14-15(13-21-23(8,9)18(2,3)4)17(12-16(14)20)22-24(10,11)19(5,6)7/h15-17,20H,1,12-13H2,2-11H3/t15-,16+,17-/m0/s1
InChIKeyITBIDWSGCHAPLY-BBWFWOEESA-N
MW372.70 g/mol
LogP5.34
Rot. Bonds5

About (1R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylidenecyclopentan-1-ol

(1R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylidenecyclopentan-1-ol (PubChem CID 56651232) has the molecular formula C19H40O3Si2 and a molecular weight of 372.70 g/mol. Its IUPAC name is (1R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylidenecyclopentan-1-ol.

Molecular Properties

Compound Name(1R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylidenecyclopentan-1-ol
PubChem CID56651232
Molecular FormulaC19H40O3Si2
Molecular Weight372.70 g/mol
Exact Mass372.25
IUPAC Name(1R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylidenecyclopentan-1-ol
SMILESC=C1[C@H](O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H40O3Si2/c1-14-15(13-21-23(8,9)18(2,3)4)17(12-16(14)20)22-24(10,11)19(5,6)7/h15-17,20H,1,12-13H2,2-11H3/t15-,16+,17-/m0/s1
InChIKeyITBIDWSGCHAPLY-BBWFWOEESA-N
XLogP5.34
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.70
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (1R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylidenecyclopentan-1-ol?
The IUPAC name of (1R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylidenecyclopentan-1-ol (CID 56651232) is (1R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylidenecyclopentan-1-ol.
What is the SMILES notation for (1R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylidenecyclopentan-1-ol?
The canonical SMILES for (1R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylidenecyclopentan-1-ol is C=C1[C@H](O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (1R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylidenecyclopentan-1-ol?
The InChIKey is ITBIDWSGCHAPLY-BBWFWOEESA-N. The full InChI is InChI=1S/C19H40O3Si2/c1-14-15(13-21-23(8,9)18(2,3)4)17(12-16(14)20)22-24(10,11)19(5,6)7/h15-17,20H,1,12-13H2,2-11H3/t15-,16+,17-/m0/s1.
What are the key properties of (1R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylidenecyclopentan-1-ol?
(1R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylidenecyclopentan-1-ol has a molecular weight of 372.70 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylidenecyclopentan-1-ol is sourced from PubChem (CID 56651232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).