(4S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-bis(methoxymethoxy)cyclopent-2-en-1-one

C16H30O6Si — CID 10914973

IUPAC(4S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-bis(methoxymethoxy)cyclopent-2-en-1-one
SMILESCOCO[C@H]1C=C(CO[Si](C)(C)C(C)(C)C)C(=O)[C@@H]1OCOC
InChIInChI=1S/C16H30O6Si/c1-16(2,3)23(6,7)22-9-12-8-13(20-10-18-4)15(14(12)17)21-11-19-5/h8,13,15H,9-11H2,1-7H3/t13-,15+/m0/s1
InChIKeyXILPWYFGXZEAQP-DZGCQCFKSA-N
MW346.50 g/mol
LogP2.50
Rot. Bonds9

About (4S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-bis(methoxymethoxy)cyclopent-2-en-1-one

(4S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-bis(methoxymethoxy)cyclopent-2-en-1-one (PubChem CID 10914973) has the molecular formula C16H30O6Si and a molecular weight of 346.50 g/mol. Its IUPAC name is (4S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-bis(methoxymethoxy)cyclopent-2-en-1-one.

Molecular Properties

Compound Name(4S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-bis(methoxymethoxy)cyclopent-2-en-1-one
PubChem CID10914973
Molecular FormulaC16H30O6Si
Molecular Weight346.50 g/mol
Exact Mass346.18
IUPAC Name(4S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-bis(methoxymethoxy)cyclopent-2-en-1-one
SMILESCOCO[C@H]1C=C(CO[Si](C)(C)C(C)(C)C)C(=O)[C@@H]1OCOC
InChIInChI=1S/C16H30O6Si/c1-16(2,3)23(6,7)22-9-12-8-13(20-10-18-4)15(14(12)17)21-11-19-5/h8,13,15H,9-11H2,1-7H3/t13-,15+/m0/s1
InChIKeyXILPWYFGXZEAQP-DZGCQCFKSA-N
XLogP2.50
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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Related Compounds

(3aR,7aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-7,7a-dihydro-3aH-1,3-benzodioxol-4-one
CID 10638882
(4S,5R)-2-(hydroxymethyl)-4,5-bis(methoxymethoxy)cyclopent-2-en-1-one
CID 15031419
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethoxymethyl)cyclopent-2-en-1-one
CID 11000663
(2S,6S)-2-[tert-butyl(dimethyl)silyl]oxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-bis(methoxymethoxymethyl)-2H-pyran-5-one
CID 11123626
[(2S,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2-propan-2-yloxy-2H-pyran-4-yl]methyl acetate
CID 71681152
(3aR,6aR)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-3a,6a-dihydrocyclopenta[d][1,3]dioxol-4-one
CID 102296368

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-bis(methoxymethoxy)cyclopent-2-en-1-one?
The IUPAC name of (4S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-bis(methoxymethoxy)cyclopent-2-en-1-one (CID 10914973) is (4S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-bis(methoxymethoxy)cyclopent-2-en-1-one.
What is the SMILES notation for (4S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-bis(methoxymethoxy)cyclopent-2-en-1-one?
The canonical SMILES for (4S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-bis(methoxymethoxy)cyclopent-2-en-1-one is COCO[C@H]1C=C(CO[Si](C)(C)C(C)(C)C)C(=O)[C@@H]1OCOC.
What is the InChIKey of (4S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-bis(methoxymethoxy)cyclopent-2-en-1-one?
The InChIKey is XILPWYFGXZEAQP-DZGCQCFKSA-N. The full InChI is InChI=1S/C16H30O6Si/c1-16(2,3)23(6,7)22-9-12-8-13(20-10-18-4)15(14(12)17)21-11-19-5/h8,13,15H,9-11H2,1-7H3/t13-,15+/m0/s1.
What are the key properties of (4S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-bis(methoxymethoxy)cyclopent-2-en-1-one?
(4S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-bis(methoxymethoxy)cyclopent-2-en-1-one has a molecular weight of 346.50 g/mol, XLogP of 2.50, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-bis(methoxymethoxy)cyclopent-2-en-1-one is sourced from PubChem (CID 10914973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).