(2Z,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxolan-2-ylmethylidene)-3-ethenylcyclopentan-1-one

C17H28O4Si — CID 174152017

IUPAC(2Z,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxolan-2-ylmethylidene)-3-ethenylcyclopentan-1-one
SMILESC=C[C@@H]1/C(=C/C2OCCO2)C(=O)CC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H28O4Si/c1-7-12-13(10-16-19-8-9-20-16)14(18)11-15(12)21-22(5,6)17(2,3)4/h7,10,12,15-16H,1,8-9,11H2,2-6H3/b13-10-/t12-,15?/m1/s1
InChIKeySHIFEBSZXOLXHX-FVHPLBPCSA-N
MW324.49 g/mol
LogP3.45
Rot. Bonds4

About (2Z,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxolan-2-ylmethylidene)-3-ethenylcyclopentan-1-one

(2Z,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxolan-2-ylmethylidene)-3-ethenylcyclopentan-1-one (PubChem CID 174152017) has the molecular formula C17H28O4Si and a molecular weight of 324.49 g/mol. Its IUPAC name is (2Z,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxolan-2-ylmethylidene)-3-ethenylcyclopentan-1-one.

Molecular Properties

Compound Name(2Z,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxolan-2-ylmethylidene)-3-ethenylcyclopentan-1-one
PubChem CID174152017
Molecular FormulaC17H28O4Si
Molecular Weight324.49 g/mol
Exact Mass324.18
IUPAC Name(2Z,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxolan-2-ylmethylidene)-3-ethenylcyclopentan-1-one
SMILESC=C[C@@H]1/C(=C/C2OCCO2)C(=O)CC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H28O4Si/c1-7-12-13(10-16-19-8-9-20-16)14(18)11-15(12)21-22(5,6)17(2,3)4/h7,10,12,15-16H,1,8-9,11H2,2-6H3/b13-10-/t12-,15?/m1/s1
InChIKeySHIFEBSZXOLXHX-FVHPLBPCSA-N
XLogP3.45
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxolan-2-ylmethylidene)-3-ethenylcyclopentan-1-one?
The IUPAC name of (2Z,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxolan-2-ylmethylidene)-3-ethenylcyclopentan-1-one (CID 174152017) is (2Z,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxolan-2-ylmethylidene)-3-ethenylcyclopentan-1-one.
What is the SMILES notation for (2Z,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxolan-2-ylmethylidene)-3-ethenylcyclopentan-1-one?
The canonical SMILES for (2Z,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxolan-2-ylmethylidene)-3-ethenylcyclopentan-1-one is C=C[C@@H]1/C(=C/C2OCCO2)C(=O)CC1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2Z,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxolan-2-ylmethylidene)-3-ethenylcyclopentan-1-one?
The InChIKey is SHIFEBSZXOLXHX-FVHPLBPCSA-N. The full InChI is InChI=1S/C17H28O4Si/c1-7-12-13(10-16-19-8-9-20-16)14(18)11-15(12)21-22(5,6)17(2,3)4/h7,10,12,15-16H,1,8-9,11H2,2-6H3/b13-10-/t12-,15?/m1/s1.
What are the key properties of (2Z,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxolan-2-ylmethylidene)-3-ethenylcyclopentan-1-one?
(2Z,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxolan-2-ylmethylidene)-3-ethenylcyclopentan-1-one has a molecular weight of 324.49 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxolan-2-ylmethylidene)-3-ethenylcyclopentan-1-one is sourced from PubChem (CID 174152017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).