tert-butyl 5-cyclohexyl-4-oxopent-2-enoate

C15H24O3 — CID 163997557

IUPACtert-butyl 5-cyclohexyl-4-oxopent-2-enoate
SMILESCC(C)(C)OC(=O)C=CC(=O)CC1CCCCC1
InChIInChI=1S/C15H24O3/c1-15(2,3)18-14(17)10-9-13(16)11-12-7-5-4-6-8-12/h9-10,12H,4-8,11H2,1-3H3
InChIKeyUGBIZLIZDONPAZ-UHFFFAOYSA-N
MW252.35 g/mol
LogP3.42
Rot. Bonds4

About tert-butyl 5-cyclohexyl-4-oxopent-2-enoate

tert-butyl 5-cyclohexyl-4-oxopent-2-enoate (PubChem CID 163997557) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is tert-butyl 5-cyclohexyl-4-oxopent-2-enoate.

Molecular Properties

Compound Nametert-butyl 5-cyclohexyl-4-oxopent-2-enoate
PubChem CID163997557
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Nametert-butyl 5-cyclohexyl-4-oxopent-2-enoate
SMILESCC(C)(C)OC(=O)C=CC(=O)CC1CCCCC1
InChIInChI=1S/C15H24O3/c1-15(2,3)18-14(17)10-9-13(16)11-12-7-5-4-6-8-12/h9-10,12H,4-8,11H2,1-3H3
InChIKeyUGBIZLIZDONPAZ-UHFFFAOYSA-N
XLogP3.42
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-Methyl 4-cyclohexyl-4-oxobut-2-enoate
CID 12279310
ethyl (E)-4-cyclohexyl-4-oxobut-2-enoate
CID 24974133
propan-2-yl (E)-4-cyclohexyl-4-oxobut-2-enoate
CID 155567392
ethyl (E)-5,5-difluoro-5-(2-oxocyclohexyl)pent-2-enoate
CID 168301373
methyl (Z)-5-(2-oxocyclopentyl)pent-2-enoate
CID 10241777
tert-butyl (2E)-3-cyclohexylprop-2-enoate
CID 11287288
Methyl 5-cyclohexyl-3-methyl-5-oxopentene-1-oate
CID 14698632
Methyl 5-cyclohexyl-3-methyl-5-oxopent-2-enoate
CID 53436948
methyl (E)-4-(4-oxocyclohexyl)but-2-enoate
CID 10943412
ethyl (2E)-2-(5-methyl-2-oxocyclohexylidene)acetate
CID 11344598
(R)-5-methyl-5-((R)-2-oxoheptan-4-yl)furan-2(5H)-one
CID 86277938
(R)-5-ethyl-5-((R)-2-oxoheptan-4-yl)furan-2(5H)-one
CID 86277939

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-cyclohexyl-4-oxopent-2-enoate?
The IUPAC name of tert-butyl 5-cyclohexyl-4-oxopent-2-enoate (CID 163997557) is tert-butyl 5-cyclohexyl-4-oxopent-2-enoate.
What is the SMILES notation for tert-butyl 5-cyclohexyl-4-oxopent-2-enoate?
The canonical SMILES for tert-butyl 5-cyclohexyl-4-oxopent-2-enoate is CC(C)(C)OC(=O)C=CC(=O)CC1CCCCC1.
What is the InChIKey of tert-butyl 5-cyclohexyl-4-oxopent-2-enoate?
The InChIKey is UGBIZLIZDONPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-15(2,3)18-14(17)10-9-13(16)11-12-7-5-4-6-8-12/h9-10,12H,4-8,11H2,1-3H3.
What are the key properties of tert-butyl 5-cyclohexyl-4-oxopent-2-enoate?
tert-butyl 5-cyclohexyl-4-oxopent-2-enoate has a molecular weight of 252.35 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-cyclohexyl-4-oxopent-2-enoate is sourced from PubChem (CID 163997557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).