ethyl (2Z)-2-[(2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-prop-1-en-2-ylcyclopentylidene]acetate

C18H32O3Si — CID 101012135

IUPACethyl (2Z)-2-[(2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-prop-1-en-2-ylcyclopentylidene]acetate
SMILESC=C(C)[C@H]1CC[C@@H](O[Si](C)(C)C(C)(C)C)/C1=C\C(=O)OCC
InChIInChI=1S/C18H32O3Si/c1-9-20-17(19)12-15-14(13(2)3)10-11-16(15)21-22(7,8)18(4,5)6/h12,14,16H,2,9-11H2,1,3-8H3/b15-12-/t14-,16-/m1/s1
InChIKeyVOBZVQJLONJFKI-RTIMKCCJSA-N
MW324.54 g/mol
LogP4.85
Rot. Bonds5

About ethyl (2Z)-2-[(2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-prop-1-en-2-ylcyclopentylidene]acetate

ethyl (2Z)-2-[(2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-prop-1-en-2-ylcyclopentylidene]acetate (PubChem CID 101012135) has the molecular formula C18H32O3Si and a molecular weight of 324.54 g/mol. Its IUPAC name is ethyl (2Z)-2-[(2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-prop-1-en-2-ylcyclopentylidene]acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-[(2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-prop-1-en-2-ylcyclopentylidene]acetate
PubChem CID101012135
Molecular FormulaC18H32O3Si
Molecular Weight324.54 g/mol
Exact Mass324.21
IUPAC Nameethyl (2Z)-2-[(2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-prop-1-en-2-ylcyclopentylidene]acetate
SMILESC=C(C)[C@H]1CC[C@@H](O[Si](C)(C)C(C)(C)C)/C1=C\C(=O)OCC
InChIInChI=1S/C18H32O3Si/c1-9-20-17(19)12-15-14(13(2)3)10-11-16(15)21-22(7,8)18(4,5)6/h12,14,16H,2,9-11H2,1,3-8H3/b15-12-/t14-,16-/m1/s1
InChIKeyVOBZVQJLONJFKI-RTIMKCCJSA-N
XLogP4.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.54
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 ethyl (2Z)-2-[(2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-prop-1-en-2-ylcyclopentylidene]acetate?
The IUPAC name of ethyl (2Z)-2-[(2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-prop-1-en-2-ylcyclopentylidene]acetate (CID 101012135) is ethyl (2Z)-2-[(2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-prop-1-en-2-ylcyclopentylidene]acetate.
What is the SMILES notation for ethyl (2Z)-2-[(2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-prop-1-en-2-ylcyclopentylidene]acetate?
The canonical SMILES for ethyl (2Z)-2-[(2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-prop-1-en-2-ylcyclopentylidene]acetate is C=C(C)[C@H]1CC[C@@H](O[Si](C)(C)C(C)(C)C)/C1=C\C(=O)OCC.
What is the InChIKey of ethyl (2Z)-2-[(2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-prop-1-en-2-ylcyclopentylidene]acetate?
The InChIKey is VOBZVQJLONJFKI-RTIMKCCJSA-N. The full InChI is InChI=1S/C18H32O3Si/c1-9-20-17(19)12-15-14(13(2)3)10-11-16(15)21-22(7,8)18(4,5)6/h12,14,16H,2,9-11H2,1,3-8H3/b15-12-/t14-,16-/m1/s1.
What are the key properties of ethyl (2Z)-2-[(2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-prop-1-en-2-ylcyclopentylidene]acetate?
ethyl (2Z)-2-[(2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-prop-1-en-2-ylcyclopentylidene]acetate has a molecular weight of 324.54 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-[(2R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-prop-1-en-2-ylcyclopentylidene]acetate is sourced from PubChem (CID 101012135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).