[(1R,2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(methoxymethoxy)cyclopentyl]methanol

C15H32O4Si — CID 172645705

IUPAC[(1R,2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(methoxymethoxy)cyclopentyl]methanol
SMILESCOCO[C@H]1CC[C@@H](CO)[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O4Si/c1-15(2,3)20(5,6)19-10-13-12(9-16)7-8-14(13)18-11-17-4/h12-14,16H,7-11H2,1-6H3/t12-,13+,14-/m0/s1
InChIKeyOMAPZVJPLASXIH-MJBXVCDLSA-N
MW304.50 g/mol
LogP3.02
Rot. Bonds7

About [(1R,2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(methoxymethoxy)cyclopentyl]methanol

[(1R,2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(methoxymethoxy)cyclopentyl]methanol (PubChem CID 172645705) has the molecular formula C15H32O4Si and a molecular weight of 304.50 g/mol. Its IUPAC name is [(1R,2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(methoxymethoxy)cyclopentyl]methanol.

Molecular Properties

Compound Name[(1R,2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(methoxymethoxy)cyclopentyl]methanol
PubChem CID172645705
Molecular FormulaC15H32O4Si
Molecular Weight304.50 g/mol
Exact Mass304.21
IUPAC Name[(1R,2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(methoxymethoxy)cyclopentyl]methanol
SMILESCOCO[C@H]1CC[C@@H](CO)[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O4Si/c1-15(2,3)20(5,6)19-10-13-12(9-16)7-8-14(13)18-11-17-4/h12-14,16H,7-11H2,1-6H3/t12-,13+,14-/m0/s1
InChIKeyOMAPZVJPLASXIH-MJBXVCDLSA-N
XLogP3.02
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(methoxymethoxy)cyclopentyl]methanol?
The IUPAC name of [(1R,2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(methoxymethoxy)cyclopentyl]methanol (CID 172645705) is [(1R,2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(methoxymethoxy)cyclopentyl]methanol.
What is the SMILES notation for [(1R,2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(methoxymethoxy)cyclopentyl]methanol?
The canonical SMILES for [(1R,2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(methoxymethoxy)cyclopentyl]methanol is COCO[C@H]1CC[C@@H](CO)[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(1R,2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(methoxymethoxy)cyclopentyl]methanol?
The InChIKey is OMAPZVJPLASXIH-MJBXVCDLSA-N. The full InChI is InChI=1S/C15H32O4Si/c1-15(2,3)20(5,6)19-10-13-12(9-16)7-8-14(13)18-11-17-4/h12-14,16H,7-11H2,1-6H3/t12-,13+,14-/m0/s1.
What are the key properties of [(1R,2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(methoxymethoxy)cyclopentyl]methanol?
[(1R,2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(methoxymethoxy)cyclopentyl]methanol has a molecular weight of 304.50 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(methoxymethoxy)cyclopentyl]methanol is sourced from PubChem (CID 172645705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).