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

C17H28O4Si — CID 155818508

IUPACcis-(2Z,3R,4R)-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)C[C@H]1O[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-RIHWVARESA-N
MW324.49 g/mol
LogP3.45
Rot. Bonds4

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

cis-(2Z,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxolan-2-ylmethylidene)-3-ethenylcyclopentan-1-one (PubChem CID 155818508) has the molecular formula C17H28O4Si and a molecular weight of 324.49 g/mol. Its IUPAC name is cis-(2Z,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxolan-2-ylmethylidene)-3-ethenylcyclopentan-1-one.

Molecular Properties

Compound Namecis-(2Z,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxolan-2-ylmethylidene)-3-ethenylcyclopentan-1-one
PubChem CID155818508
Molecular FormulaC17H28O4Si
Molecular Weight324.49 g/mol
Exact Mass324.18
IUPAC Namecis-(2Z,3R,4R)-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)C[C@H]1O[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-RIHWVARESA-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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Related Compounds

Cyclopentanone,1-dimethylethyl)silyl]oxy]-
CID 5351437
(2R,3aS,7aR)-7a-methyl-2-[2-tri(propan-2-yl)silyloxyethyl]-3a,4-dihydro-1,3-benzodioxol-5-one
CID 135024283
3-((tert-Butyl(dimethyl)silyl)oxy)-4-(3-((2-methoxyethoxy)methoxy)-1-octenyl)cyclopentanone
CID 5878683
(2Z,3R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxolan-2-ylmethylidene)-3-ethenylcyclopentan-1-one
CID 174152017
cis-(3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[3-(2-methoxyethoxymethoxy)oct-1-enyl]cyclopentan-1-one
CID 390973
3-[Tert-butyl(dimethyl)silyl]oxy-4-[3-(2-methoxyethoxymethoxy)oct-1-enyl]cyclopentan-1-one
CID 496448
cis-(3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(3R)-3-(2-methoxyethoxymethoxy)oct-1-enyl]cyclopentan-1-one
CID 6713215
cis-(3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(E,3R)-3-(2-methoxyethoxymethoxy)oct-1-enyl]cyclopentan-1-one
CID 53298433
(4S,5R,9S)-9-[tert-butyl(dimethyl)silyl]-2,2,4-trimethyl-1,3-dioxaspiro[4.4]non-6-en-8-one
CID 101271793
(4R,5R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-2,2,4-trimethyl-1,3-dioxaspiro[4.4]non-6-en-8-one
CID 101333069
(3Z,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(3R)-3-(2,2-dimethoxyethyl)-4-methylpent-4-enylidene]-5-prop-2-enyloxolan-2-one
CID 101579799
cis-(3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(Z,3R)-3-(2-methoxyethoxymethoxy)oct-1-enyl]cyclopentan-1-one
CID 124629306

Frequently Asked Questions

What is the IUPAC name of cis-(2Z,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxolan-2-ylmethylidene)-3-ethenylcyclopentan-1-one?
The IUPAC name of cis-(2Z,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxolan-2-ylmethylidene)-3-ethenylcyclopentan-1-one (CID 155818508) is cis-(2Z,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxolan-2-ylmethylidene)-3-ethenylcyclopentan-1-one.
What is the SMILES notation for cis-(2Z,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxolan-2-ylmethylidene)-3-ethenylcyclopentan-1-one?
The canonical SMILES for cis-(2Z,3R,4R)-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)C[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of cis-(2Z,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxolan-2-ylmethylidene)-3-ethenylcyclopentan-1-one?
The InChIKey is SHIFEBSZXOLXHX-RIHWVARESA-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 cis-(2Z,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxolan-2-ylmethylidene)-3-ethenylcyclopentan-1-one?
cis-(2Z,3R,4R)-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 cis-(2Z,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxolan-2-ylmethylidene)-3-ethenylcyclopentan-1-one is sourced from PubChem (CID 155818508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).