[(1S,2R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(methoxymethoxy)cyclopent-3-en-1-yl]methanol

C15H30O4Si — CID 172645702

IUPAC[(1S,2R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(methoxymethoxy)cyclopent-3-en-1-yl]methanol
SMILESCOCO[C@H]1C=C[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H]1CO
InChIInChI=1S/C15H30O4Si/c1-15(2,3)20(5,6)19-10-12-7-8-14(13(12)9-16)18-11-17-4/h7-8,12-14,16H,9-11H2,1-6H3/t12-,13+,14-/m0/s1
InChIKeyVNRHDFOFSQKJEI-MJBXVCDLSA-N
MW302.49 g/mol
LogP2.79
Rot. Bonds7

About [(1S,2R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(methoxymethoxy)cyclopent-3-en-1-yl]methanol

[(1S,2R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(methoxymethoxy)cyclopent-3-en-1-yl]methanol (PubChem CID 172645702) has the molecular formula C15H30O4Si and a molecular weight of 302.49 g/mol. Its IUPAC name is [(1S,2R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(methoxymethoxy)cyclopent-3-en-1-yl]methanol.

Molecular Properties

Compound Name[(1S,2R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(methoxymethoxy)cyclopent-3-en-1-yl]methanol
PubChem CID172645702
Molecular FormulaC15H30O4Si
Molecular Weight302.49 g/mol
Exact Mass302.19
IUPAC Name[(1S,2R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(methoxymethoxy)cyclopent-3-en-1-yl]methanol
SMILESCOCO[C@H]1C=C[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H]1CO
InChIInChI=1S/C15H30O4Si/c1-15(2,3)20(5,6)19-10-12-7-8-14(13(12)9-16)18-11-17-4/h7-8,12-14,16H,9-11H2,1-6H3/t12-,13+,14-/m0/s1
InChIKeyVNRHDFOFSQKJEI-MJBXVCDLSA-N
XLogP2.79
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 52.79
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E,4R,5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-1-(4H-1,3-dioxin-4-yl)-5-methyloct-1-en-4-ol
CID 134875186
(4E,6R,7S,8S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-7-(methoxymethoxy)-6,8-dimethyldeca-1,4-dien-3-ol
CID 134875286
[(1s,2r,5s)-5-(Methoxymethoxy)cyclopent-3-ene-1,2-diyl]dimethanol
CID 172645646
[(1r,4s,5s)-5-{[(t-Butyldimethylsilyl)oxy]methyl}-4-(methoxymethoxy)cyclopent-2-en-1-yl]methanol
CID 172645703
(2S,3E,5R,6S,7S,9E)-8-methoxy-7-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxytetradeca-3,9,13-trien-1-ol
CID 57586764
(2S,3E,5R,6S,7S,8S,9E)-8-methoxy-7-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxytetradeca-3,9,13-trien-1-ol
CID 57586772
(2S,3E,5S,6S,7S,9E)-8-methoxy-7-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxytetradeca-3,9,13-trien-1-ol
CID 88399248
(2S,5R,6S,7S)-8-methoxy-7-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxytetradeca-3,9,13-trien-1-ol
CID 90700206
(2S,5R,6S,7S,8S)-8-methoxy-7-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxytetradeca-3,9,13-trien-1-ol
CID 90832027
(2R,3R)-2-[(E)-3-(2-trimethylsilylethoxymethoxy)prop-1-enyl]pentane-1,3-diol
CID 11254791

Frequently Asked Questions

What is the IUPAC name of [(1S,2R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(methoxymethoxy)cyclopent-3-en-1-yl]methanol?
The IUPAC name of [(1S,2R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(methoxymethoxy)cyclopent-3-en-1-yl]methanol (CID 172645702) is [(1S,2R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(methoxymethoxy)cyclopent-3-en-1-yl]methanol.
What is the SMILES notation for [(1S,2R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(methoxymethoxy)cyclopent-3-en-1-yl]methanol?
The canonical SMILES for [(1S,2R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(methoxymethoxy)cyclopent-3-en-1-yl]methanol is COCO[C@H]1C=C[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H]1CO.
What is the InChIKey of [(1S,2R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(methoxymethoxy)cyclopent-3-en-1-yl]methanol?
The InChIKey is VNRHDFOFSQKJEI-MJBXVCDLSA-N. The full InChI is InChI=1S/C15H30O4Si/c1-15(2,3)20(5,6)19-10-12-7-8-14(13(12)9-16)18-11-17-4/h7-8,12-14,16H,9-11H2,1-6H3/t12-,13+,14-/m0/s1.
What are the key properties of [(1S,2R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(methoxymethoxy)cyclopent-3-en-1-yl]methanol?
[(1S,2R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(methoxymethoxy)cyclopent-3-en-1-yl]methanol has a molecular weight of 302.49 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(methoxymethoxy)cyclopent-3-en-1-yl]methanol is sourced from PubChem (CID 172645702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).