3-ethyl-1-[2-(2-methoxyethyl)cyclohexyl]heptan-1-one

C18H34O2 — CID 66919623

IUPAC3-ethyl-1-[2-(2-methoxyethyl)cyclohexyl]heptan-1-one
SMILESCCCCC(CC)CC(=O)C1CCCCC1CCOC
InChIInChI=1S/C18H34O2/c1-4-6-9-15(5-2)14-18(19)17-11-8-7-10-16(17)12-13-20-3/h15-17H,4-14H2,1-3H3
InChIKeyBXWCOMNBOLECHH-UHFFFAOYSA-N
MW282.47 g/mol
LogP5.00
Rot. Bonds10

About 3-ethyl-1-[2-(2-methoxyethyl)cyclohexyl]heptan-1-one

3-ethyl-1-[2-(2-methoxyethyl)cyclohexyl]heptan-1-one (PubChem CID 66919623) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is 3-ethyl-1-[2-(2-methoxyethyl)cyclohexyl]heptan-1-one.

Molecular Properties

Compound Name3-ethyl-1-[2-(2-methoxyethyl)cyclohexyl]heptan-1-one
PubChem CID66919623
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Name3-ethyl-1-[2-(2-methoxyethyl)cyclohexyl]heptan-1-one
SMILESCCCCC(CC)CC(=O)C1CCCCC1CCOC
InChIInChI=1S/C18H34O2/c1-4-6-9-15(5-2)14-18(19)17-11-8-7-10-16(17)12-13-20-3/h15-17H,4-14H2,1-3H3
InChIKeyBXWCOMNBOLECHH-UHFFFAOYSA-N
XLogP5.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.47
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[2-(2-methoxyethyl)cyclohexyl]heptan-1-one?
The IUPAC name of 3-ethyl-1-[2-(2-methoxyethyl)cyclohexyl]heptan-1-one (CID 66919623) is 3-ethyl-1-[2-(2-methoxyethyl)cyclohexyl]heptan-1-one.
What is the SMILES notation for 3-ethyl-1-[2-(2-methoxyethyl)cyclohexyl]heptan-1-one?
The canonical SMILES for 3-ethyl-1-[2-(2-methoxyethyl)cyclohexyl]heptan-1-one is CCCCC(CC)CC(=O)C1CCCCC1CCOC.
What is the InChIKey of 3-ethyl-1-[2-(2-methoxyethyl)cyclohexyl]heptan-1-one?
The InChIKey is BXWCOMNBOLECHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2/c1-4-6-9-15(5-2)14-18(19)17-11-8-7-10-16(17)12-13-20-3/h15-17H,4-14H2,1-3H3.
What are the key properties of 3-ethyl-1-[2-(2-methoxyethyl)cyclohexyl]heptan-1-one?
3-ethyl-1-[2-(2-methoxyethyl)cyclohexyl]heptan-1-one has a molecular weight of 282.47 g/mol, XLogP of 5.00, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[2-(2-methoxyethyl)cyclohexyl]heptan-1-one is sourced from PubChem (CID 66919623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).