1-(cyclohepten-1-yl)-2-ethoxy-2-ethylbutan-1-one

C15H26O2 — CID 106652249

IUPAC1-(cyclohepten-1-yl)-2-ethoxy-2-ethylbutan-1-one
SMILESCCOC(CC)(CC)C(=O)C1=CCCCCC1
InChIInChI=1S/C15H26O2/c1-4-15(5-2,17-6-3)14(16)13-11-9-7-8-10-12-13/h11H,4-10,12H2,1-3H3
InChIKeyKKJCSYHWMRSQDH-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.04
Rot. Bonds6

About 1-(cyclohepten-1-yl)-2-ethoxy-2-ethylbutan-1-one

1-(cyclohepten-1-yl)-2-ethoxy-2-ethylbutan-1-one (PubChem CID 106652249) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-(cyclohepten-1-yl)-2-ethoxy-2-ethylbutan-1-one.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)-2-ethoxy-2-ethylbutan-1-one
PubChem CID106652249
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name1-(cyclohepten-1-yl)-2-ethoxy-2-ethylbutan-1-one
SMILESCCOC(CC)(CC)C(=O)C1=CCCCCC1
InChIInChI=1S/C15H26O2/c1-4-15(5-2,17-6-3)14(16)13-11-9-7-8-10-12-13/h11H,4-10,12H2,1-3H3
InChIKeyKKJCSYHWMRSQDH-UHFFFAOYSA-N
XLogP4.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohepten-1-yl)-2-ethoxy-2-ethylbutan-1-one?
The IUPAC name of 1-(cyclohepten-1-yl)-2-ethoxy-2-ethylbutan-1-one (CID 106652249) is 1-(cyclohepten-1-yl)-2-ethoxy-2-ethylbutan-1-one.
What is the SMILES notation for 1-(cyclohepten-1-yl)-2-ethoxy-2-ethylbutan-1-one?
The canonical SMILES for 1-(cyclohepten-1-yl)-2-ethoxy-2-ethylbutan-1-one is CCOC(CC)(CC)C(=O)C1=CCCCCC1.
What is the InChIKey of 1-(cyclohepten-1-yl)-2-ethoxy-2-ethylbutan-1-one?
The InChIKey is KKJCSYHWMRSQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-4-15(5-2,17-6-3)14(16)13-11-9-7-8-10-12-13/h11H,4-10,12H2,1-3H3.
What are the key properties of 1-(cyclohepten-1-yl)-2-ethoxy-2-ethylbutan-1-one?
1-(cyclohepten-1-yl)-2-ethoxy-2-ethylbutan-1-one has a molecular weight of 238.37 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohepten-1-yl)-2-ethoxy-2-ethylbutan-1-one is sourced from PubChem (CID 106652249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).