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

C16H30O2Si — CID 58752497

IUPAC(2E)-3-[tert-butyl(dimethyl)silyl]oxy-2-butylidene-4-methylcyclopentan-1-one
SMILESCCC/C=C1/C(=O)CC(C)C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O2Si/c1-8-9-10-13-14(17)11-12(2)15(13)18-19(6,7)16(3,4)5/h10,12,15H,8-9,11H2,1-7H3/b13-10-
InChIKeyKRUPEJDVDIKXLH-RAXLEYEMSA-N
MW282.50 g/mol
LogP4.71
Rot. Bonds4

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

(2E)-3-[tert-butyl(dimethyl)silyl]oxy-2-butylidene-4-methylcyclopentan-1-one (PubChem CID 58752497) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is (2E)-3-[tert-butyl(dimethyl)silyl]oxy-2-butylidene-4-methylcyclopentan-1-one.

Molecular Properties

Compound Name(2E)-3-[tert-butyl(dimethyl)silyl]oxy-2-butylidene-4-methylcyclopentan-1-one
PubChem CID58752497
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Name(2E)-3-[tert-butyl(dimethyl)silyl]oxy-2-butylidene-4-methylcyclopentan-1-one
SMILESCCC/C=C1/C(=O)CC(C)C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O2Si/c1-8-9-10-13-14(17)11-12(2)15(13)18-19(6,7)16(3,4)5/h10,12,15H,8-9,11H2,1-7H3/b13-10-
InChIKeyKRUPEJDVDIKXLH-RAXLEYEMSA-N
XLogP4.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.71
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'}

Analyze (2E)-3-[tert-butyl(dimethyl)silyl]oxy-2-butylidene-4-methylcyclopentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-5-methylcyclopent-2-en-1-one
CID 11149438
(E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnon-6-en-3-one
CID 11472059
(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
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
(3R, 4R)-2-methylene-3-[(1E,3S)-3-(tert-butyldimethylsiloxy)-3-cyclohexyl-1-propenyl]-4-(tert-butyldimethylsiloxy)cyclopentan-1-one
CID 11733520
4-[tert-butyl(dimethyl)silyl]oxy-3-[(E)-3-[tert-butyl(dimethyl)silyl]oxy-5-methylnon-1-enyl]-2-methylidenecyclopentan-1-one
CID 14095378
cis-(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyldec-8-en-1-ynyl]-2-methylidenecyclopentan-1-one
CID 15280332
cis-(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyldec-8-en-1-ynyl]-2-methylidenecyclopentan-1-one
CID 15280333

Frequently Asked Questions

What is the IUPAC name of (2E)-3-[tert-butyl(dimethyl)silyl]oxy-2-butylidene-4-methylcyclopentan-1-one?
The IUPAC name of (2E)-3-[tert-butyl(dimethyl)silyl]oxy-2-butylidene-4-methylcyclopentan-1-one (CID 58752497) is (2E)-3-[tert-butyl(dimethyl)silyl]oxy-2-butylidene-4-methylcyclopentan-1-one.
What is the SMILES notation for (2E)-3-[tert-butyl(dimethyl)silyl]oxy-2-butylidene-4-methylcyclopentan-1-one?
The canonical SMILES for (2E)-3-[tert-butyl(dimethyl)silyl]oxy-2-butylidene-4-methylcyclopentan-1-one is CCC/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-2-butylidene-4-methylcyclopentan-1-one?
The InChIKey is KRUPEJDVDIKXLH-RAXLEYEMSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-8-9-10-13-14(17)11-12(2)15(13)18-19(6,7)16(3,4)5/h10,12,15H,8-9,11H2,1-7H3/b13-10-.
What are the key properties of (2E)-3-[tert-butyl(dimethyl)silyl]oxy-2-butylidene-4-methylcyclopentan-1-one?
(2E)-3-[tert-butyl(dimethyl)silyl]oxy-2-butylidene-4-methylcyclopentan-1-one has a molecular weight of 282.50 g/mol, XLogP of 4.71, 4 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-2-butylidene-4-methylcyclopentan-1-one is sourced from PubChem (CID 58752497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).