4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylidenecyclopentane-1,3-diol

C13H26O3Si — CID 123597762

IUPAC4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylidenecyclopentane-1,3-diol
SMILESC=C1C(O)CC(O)C1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O3Si/c1-9-10(12(15)7-11(9)14)8-16-17(5,6)13(2,3)4/h10-12,14-15H,1,7-8H2,2-6H3
InChIKeyZELFTXGNTKPERJ-UHFFFAOYSA-N
MW258.43 g/mol
LogP2.31
Rot. Bonds3

About 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylidenecyclopentane-1,3-diol

4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylidenecyclopentane-1,3-diol (PubChem CID 123597762) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylidenecyclopentane-1,3-diol.

Molecular Properties

Compound Name4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylidenecyclopentane-1,3-diol
PubChem CID123597762
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Name4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylidenecyclopentane-1,3-diol
SMILESC=C1C(O)CC(O)C1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O3Si/c1-9-10(12(15)7-11(9)14)8-16-17(5,6)13(2,3)4/h10-12,14-15H,1,7-8H2,2-6H3
InChIKeyZELFTXGNTKPERJ-UHFFFAOYSA-N
XLogP2.31
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 52.31
H-Bond Donors ≤ 52
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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Related Compounds

(1R,3R,4S)-4-((tert-Butyldimethylsilyl)oxy)-3-(((tert-butyldimethylsilyl)oxy)methyl)-2-methylenecyclopentanol
CID 56651232
(1S,2R,4R)-4-(tert-butyldimethylsilyloxy)-2-(hydroxymethyl)-3-methylenecyclopentyl acetate
CID 67985347
(-)-(6aR,8S,9R,9aR)-9-Fluoro-2,2,4,4-tetraisopropyl-7-methylenehexahydrocyclopenta[f]-[1,3,5,2,4]trioxadisilocin-8-ol
CID 102334878
(-)-(6aR,8R,9R,9aR)-9-Fluoro-2,2,4,4-tetraisopropyl-7-methylenehexahydrocyclopenta[f]-[1,3,5,2,4]trioxadisilocin-8-ol
CID 131735544
(6aR,9S)-9-fluoro-7-methylidene-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-cyclopenta[f][1,3,5,2,4]trioxadisilocin-8-ol
CID 140714179
(6aR,8R,9S)-9-fluoro-7-methylidene-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-cyclopenta[f][1,3,5,2,4]trioxadisilocin-8-ol
CID 140714181
(1R,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2-methylidenecyclopentan-1-ol
CID 156903617
(1S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2-methylidenecyclopentan-1-ol
CID 156903643
(6aR,8S,9S)-9-fluoro-7-methylidene-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-cyclopenta[f][1,3,5,2,4]trioxadisilocin-8-ol
CID 157631125
trans-(1R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluoro-2-methylidenecyclopentan-1-ol
CID 173866425
trans-(1R,4R,5E)-4-(hydroxymethyl)-2,2-dimethyl-5-(trimethylsilylmethylidene)cyclopentan-1-ol
CID 101332586
cis-(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylidenecyclopentan-1-ol
CID 155936770

Frequently Asked Questions

What is the IUPAC name of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylidenecyclopentane-1,3-diol?
The IUPAC name of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylidenecyclopentane-1,3-diol (CID 123597762) is 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylidenecyclopentane-1,3-diol.
What is the SMILES notation for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylidenecyclopentane-1,3-diol?
The canonical SMILES for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylidenecyclopentane-1,3-diol is C=C1C(O)CC(O)C1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylidenecyclopentane-1,3-diol?
The InChIKey is ZELFTXGNTKPERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-9-10(12(15)7-11(9)14)8-16-17(5,6)13(2,3)4/h10-12,14-15H,1,7-8H2,2-6H3.
What are the key properties of 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylidenecyclopentane-1,3-diol?
4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylidenecyclopentane-1,3-diol has a molecular weight of 258.43 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylidenecyclopentane-1,3-diol is sourced from PubChem (CID 123597762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).