(2E)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-propylidenecyclopentan-1-one

C15H28O2Si — CID 58752473

IUPAC(2E)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-propylidenecyclopentan-1-one
SMILESCC/C=C1/C(=O)CC(C)C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O2Si/c1-8-9-12-13(16)10-11(2)14(12)17-18(6,7)15(3,4)5/h9,11,14H,8,10H2,1-7H3/b12-9-
InChIKeyDQNMPLOAHXTFND-XFXZXTDPSA-N
MW268.47 g/mol
LogP4.32
Rot. Bonds3

About (2E)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-propylidenecyclopentan-1-one

(2E)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-propylidenecyclopentan-1-one (PubChem CID 58752473) has the molecular formula C15H28O2Si and a molecular weight of 268.47 g/mol. Its IUPAC name is (2E)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-propylidenecyclopentan-1-one.

Molecular Properties

Compound Name(2E)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-propylidenecyclopentan-1-one
PubChem CID58752473
Molecular FormulaC15H28O2Si
Molecular Weight268.47 g/mol
Exact Mass268.19
IUPAC Name(2E)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-propylidenecyclopentan-1-one
SMILESCC/C=C1/C(=O)CC(C)C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O2Si/c1-8-9-12-13(16)10-11(2)14(12)17-18(6,7)15(3,4)5/h9,11,14H,8,10H2,1-7H3/b12-9-
InChIKeyDQNMPLOAHXTFND-XFXZXTDPSA-N
XLogP4.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(((Tert-butyldimethylsilyl)oxy)methyl)-2-cyclopentenone
CID 13161571
(4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-5-methylcyclopent-2-en-1-one
CID 11149438
3-[[Tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[3.2.0]hepta-3,6-dien-2-one
CID 11184283
(4R,5S)-5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-2-methyl-4-triethylsilyloxycyclopent-2-en-1-one
CID 11581069
(4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-one
CID 12052560
(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclohex-2-en-1-one
CID 17752397
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-one
CID 24814599
(4R,5S)-5-ethenyl-4-triethylsilyloxycyclohex-2-en-1-one
CID 164665587
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-(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(E,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methylnon-1-enyl]-2-methylidenecyclopentan-1-one
CID 10863963
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2,6,6-trimethylcyclohex-2-en-1-one
CID 10956539
4-[Tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-en-1-one
CID 10987962

Frequently Asked Questions

What is the IUPAC name of (2E)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-propylidenecyclopentan-1-one?
The IUPAC name of (2E)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-propylidenecyclopentan-1-one (CID 58752473) is (2E)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-propylidenecyclopentan-1-one.
What is the SMILES notation for (2E)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-propylidenecyclopentan-1-one?
The canonical SMILES for (2E)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-propylidenecyclopentan-1-one is CC/C=C1/C(=O)CC(C)C1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2E)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-propylidenecyclopentan-1-one?
The InChIKey is DQNMPLOAHXTFND-XFXZXTDPSA-N. The full InChI is InChI=1S/C15H28O2Si/c1-8-9-12-13(16)10-11(2)14(12)17-18(6,7)15(3,4)5/h9,11,14H,8,10H2,1-7H3/b12-9-.
What are the key properties of (2E)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-propylidenecyclopentan-1-one?
(2E)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-propylidenecyclopentan-1-one has a molecular weight of 268.47 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-propylidenecyclopentan-1-one is sourced from PubChem (CID 58752473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).