1-(4-ethyl-1-bicyclo[2.2.1]heptanyl)-2-methylbutan-1-one

C14H24O — CID 142382393

IUPAC1-(4-ethyl-1-bicyclo[2.2.1]heptanyl)-2-methylbutan-1-one
SMILESCCC(C)C(=O)C12CCC(CC)(CC1)C2
InChIInChI=1S/C14H24O/c1-4-11(3)12(15)14-8-6-13(5-2,10-14)7-9-14/h11H,4-10H2,1-3H3
InChIKeyXZHJMCOQDAFVPH-UHFFFAOYSA-N
MW208.34 g/mol
LogP3.96
Rot. Bonds4

About 1-(4-ethyl-1-bicyclo[2.2.1]heptanyl)-2-methylbutan-1-one

1-(4-ethyl-1-bicyclo[2.2.1]heptanyl)-2-methylbutan-1-one (PubChem CID 142382393) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 1-(4-ethyl-1-bicyclo[2.2.1]heptanyl)-2-methylbutan-1-one.

Molecular Properties

Compound Name1-(4-ethyl-1-bicyclo[2.2.1]heptanyl)-2-methylbutan-1-one
PubChem CID142382393
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name1-(4-ethyl-1-bicyclo[2.2.1]heptanyl)-2-methylbutan-1-one
SMILESCCC(C)C(=O)C12CCC(CC)(CC1)C2
InChIInChI=1S/C14H24O/c1-4-11(3)12(15)14-8-6-13(5-2,10-14)7-9-14/h11H,4-10H2,1-3H3
InChIKeyXZHJMCOQDAFVPH-UHFFFAOYSA-N
XLogP3.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-1-bicyclo[2.2.1]heptanyl)-2-methylbutan-1-one?
The IUPAC name of 1-(4-ethyl-1-bicyclo[2.2.1]heptanyl)-2-methylbutan-1-one (CID 142382393) is 1-(4-ethyl-1-bicyclo[2.2.1]heptanyl)-2-methylbutan-1-one.
What is the SMILES notation for 1-(4-ethyl-1-bicyclo[2.2.1]heptanyl)-2-methylbutan-1-one?
The canonical SMILES for 1-(4-ethyl-1-bicyclo[2.2.1]heptanyl)-2-methylbutan-1-one is CCC(C)C(=O)C12CCC(CC)(CC1)C2.
What is the InChIKey of 1-(4-ethyl-1-bicyclo[2.2.1]heptanyl)-2-methylbutan-1-one?
The InChIKey is XZHJMCOQDAFVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-4-11(3)12(15)14-8-6-13(5-2,10-14)7-9-14/h11H,4-10H2,1-3H3.
What are the key properties of 1-(4-ethyl-1-bicyclo[2.2.1]heptanyl)-2-methylbutan-1-one?
1-(4-ethyl-1-bicyclo[2.2.1]heptanyl)-2-methylbutan-1-one has a molecular weight of 208.34 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-1-bicyclo[2.2.1]heptanyl)-2-methylbutan-1-one is sourced from PubChem (CID 142382393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).