6-ethylcyclodecan-1-one

C12H22O — CID 18176981

IUPAC6-ethylcyclodecan-1-one
SMILESCCC1CCCCC(=O)CCCC1
InChIInChI=1S/C12H22O/c1-2-11-7-3-5-9-12(13)10-6-4-8-11/h11H,2-10H2,1H3
InChIKeyGQLRREPTDRCHBG-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.72
Rot. Bonds1

About 6-ethylcyclodecan-1-one

6-ethylcyclodecan-1-one (PubChem CID 18176981) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 6-ethylcyclodecan-1-one.

Molecular Properties

Compound Name6-ethylcyclodecan-1-one
PubChem CID18176981
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name6-ethylcyclodecan-1-one
SMILESCCC1CCCCC(=O)CCCC1
InChIInChI=1S/C12H22O/c1-2-11-7-3-5-9-12(13)10-6-4-8-11/h11H,2-10H2,1H3
InChIKeyGQLRREPTDRCHBG-UHFFFAOYSA-N
XLogP3.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-ethylcyclodecan-1-one?
The IUPAC name of 6-ethylcyclodecan-1-one (CID 18176981) is 6-ethylcyclodecan-1-one.
What is the SMILES notation for 6-ethylcyclodecan-1-one?
The canonical SMILES for 6-ethylcyclodecan-1-one is CCC1CCCCC(=O)CCCC1.
What is the InChIKey of 6-ethylcyclodecan-1-one?
The InChIKey is GQLRREPTDRCHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-2-11-7-3-5-9-12(13)10-6-4-8-11/h11H,2-10H2,1H3.
What are the key properties of 6-ethylcyclodecan-1-one?
6-ethylcyclodecan-1-one has a molecular weight of 182.31 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylcyclodecan-1-one is sourced from PubChem (CID 18176981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).