(E)-3-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-oxocyclopentyl]prop-2-enal

C14H24O3Si — CID 11777834

IUPAC(E)-3-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-oxocyclopentyl]prop-2-enal
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CC(=O)C[C@H]1/C=C/C=O
InChIInChI=1S/C14H24O3Si/c1-14(2,3)18(4,5)17-13-10-12(16)9-11(13)7-6-8-15/h6-8,11,13H,9-10H2,1-5H3/b7-6+/t11-,13-/m1/s1
InChIKeyURKXVGQBSXQNBV-BKVNPXPRSA-N
MW268.43 g/mol
LogP3.11
Rot. Bonds4

About (E)-3-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-oxocyclopentyl]prop-2-enal

(E)-3-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-oxocyclopentyl]prop-2-enal (PubChem CID 11777834) has the molecular formula C14H24O3Si and a molecular weight of 268.43 g/mol. Its IUPAC name is (E)-3-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-oxocyclopentyl]prop-2-enal.

Molecular Properties

Compound Name(E)-3-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-oxocyclopentyl]prop-2-enal
PubChem CID11777834
Molecular FormulaC14H24O3Si
Molecular Weight268.43 g/mol
Exact Mass268.15
IUPAC Name(E)-3-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-oxocyclopentyl]prop-2-enal
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CC(=O)C[C@H]1/C=C/C=O
InChIInChI=1S/C14H24O3Si/c1-14(2,3)18(4,5)17-13-10-12(16)9-11(13)7-6-8-15/h6-8,11,13H,9-10H2,1-5H3/b7-6+/t11-,13-/m1/s1
InChIKeyURKXVGQBSXQNBV-BKVNPXPRSA-N
XLogP3.11
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cis-(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-methylidenecyclopentan-1-one
CID 10863595
cis-(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-methylidenecyclopentan-1-one
CID 22827420
CID 22827442
CID 22827442
cis-(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-methylidenecyclopentan-1-one
CID 53914999
cis-(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-methylidenecyclopentan-1-one
CID 53915000
(2Z)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-(2-methylpropylidene)cyclopentan-1-one
CID 58752470
(2E)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-propylidenecyclopentan-1-one
CID 58752473
(2E)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-(2-methylpropylidene)cyclopentan-1-one
CID 58752492
(2E)-3-[tert-butyl(dimethyl)silyl]oxy-2-butylidene-4-methylcyclopentan-1-one
CID 58752497
4-[tert-butyl(dimethyl)silyl]oxy-3-[(E,3R)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-methylidenecyclopentan-1-one
CID 70506581
4-[tert-butyl(dimethyl)silyl]oxy-3-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-methylidenecyclopentan-1-one
CID 70506922
3-[Tert-butyl(dimethyl)silyl]oxy-4-methyl-2-propylidenecyclopentan-1-one
CID 70862211

Frequently Asked Questions

What is the IUPAC name of (E)-3-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-oxocyclopentyl]prop-2-enal?
The IUPAC name of (E)-3-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-oxocyclopentyl]prop-2-enal (CID 11777834) is (E)-3-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-oxocyclopentyl]prop-2-enal.
What is the SMILES notation for (E)-3-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-oxocyclopentyl]prop-2-enal?
The canonical SMILES for (E)-3-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-oxocyclopentyl]prop-2-enal is CC(C)(C)[Si](C)(C)O[C@@H]1CC(=O)C[C@H]1/C=C/C=O.
What is the InChIKey of (E)-3-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-oxocyclopentyl]prop-2-enal?
The InChIKey is URKXVGQBSXQNBV-BKVNPXPRSA-N. The full InChI is InChI=1S/C14H24O3Si/c1-14(2,3)18(4,5)17-13-10-12(16)9-11(13)7-6-8-15/h6-8,11,13H,9-10H2,1-5H3/b7-6+/t11-,13-/m1/s1.
What are the key properties of (E)-3-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-oxocyclopentyl]prop-2-enal?
(E)-3-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-oxocyclopentyl]prop-2-enal has a molecular weight of 268.43 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-oxocyclopentyl]prop-2-enal is sourced from PubChem (CID 11777834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).