[(1R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl] acetate

C14H26O3Si — CID 10333359

IUPAC[(1R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl] acetate
SMILESCC(=O)O[C@H]1C=C[C@@H](CO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C14H26O3Si/c1-11(15)17-13-8-7-12(9-13)10-16-18(5,6)14(2,3)4/h7-8,12-13H,9-10H2,1-6H3/t12-,13+/m1/s1
InChIKeyXEFUFHRBDWXXEL-OLZOCXBDSA-N
MW270.44 g/mol
LogP3.52
Rot. Bonds4

About [(1R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl] acetate

[(1R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl] acetate (PubChem CID 10333359) has the molecular formula C14H26O3Si and a molecular weight of 270.44 g/mol. Its IUPAC name is [(1R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl] acetate.

Molecular Properties

Compound Name[(1R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl] acetate
PubChem CID10333359
Molecular FormulaC14H26O3Si
Molecular Weight270.44 g/mol
Exact Mass270.17
IUPAC Name[(1R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl] acetate
SMILESCC(=O)O[C@H]1C=C[C@@H](CO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C14H26O3Si/c1-11(15)17-13-8-7-12(9-13)10-16-18(5,6)14(2,3)4/h7-8,12-13H,9-10H2,1-6H3/t12-,13+/m1/s1
InChIKeyXEFUFHRBDWXXEL-OLZOCXBDSA-N
XLogP3.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.52
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'}

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Related Compounds

(1S,4R)-1-Acetoxy-4-(tert-butyldimethylsilanyloxy)-2-cyclohexene
CID 10978542
[(1S,4R)-4-acetyloxycyclopent-2-en-1-yl]methyl acetate
CID 10262131
(1r,4s)-4-{[Tert-butyl(dimethyl)silyl]oxy}-2-cyclopenten-1-yl acetate
CID 10956197
(4-Acetyloxycyclopent-2-en-1-yl)methyl acetate
CID 22386414
[(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl] acetate
CID 53745910
ethyl (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-2-enoate
CID 11403840
ethyl [(1R,4S)-4-[tri(propan-2-yl)silyloxymethyl]cyclopent-2-en-1-yl] carbonate
CID 25112093
ethyl (E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-2-enoate
CID 101211264
[(2E)-2-[(2S,5R)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclopentylidene]ethyl] acetate
CID 101909751
(s)-Methyl 4-(t-butyldimethylsilanyloxy)-6-methyl-2-heptenoate
CID 129824394
[(1s,2r,5s)-2-{[(t-Butyldimethylsilyl)oxy]methyl}-5-(methoxymethoxy)cyclopent-3-en-1-yl]methyl acetate
CID 172645733
[(1r,2s,5r)-2-{[(t-Butyldimethylsilyl)oxy]methyl}-5-(methoxymethoxy)cyclopent-3-en-1-yl]methyl acetate
CID 172645734

Frequently Asked Questions

What is the IUPAC name of [(1R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl] acetate?
The IUPAC name of [(1R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl] acetate (CID 10333359) is [(1R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl] acetate.
What is the SMILES notation for [(1R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl] acetate?
The canonical SMILES for [(1R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl] acetate is CC(=O)O[C@H]1C=C[C@@H](CO[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of [(1R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl] acetate?
The InChIKey is XEFUFHRBDWXXEL-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H26O3Si/c1-11(15)17-13-8-7-12(9-13)10-16-18(5,6)14(2,3)4/h7-8,12-13H,9-10H2,1-6H3/t12-,13+/m1/s1.
What are the key properties of [(1R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl] acetate?
[(1R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl] acetate has a molecular weight of 270.44 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-yl] acetate is sourced from PubChem (CID 10333359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).