3,5,18-trimethylcyclononadecan-1-one

C22H42O — CID 71369920

IUPAC3,5,18-trimethylcyclononadecan-1-one
SMILESCC1CCCCCCCCCCCCC(C)CC(C)CC(=O)C1
InChIInChI=1S/C22H42O/c1-19-14-12-10-8-6-4-5-7-9-11-13-15-20(2)17-22(23)18-21(3)16-19/h19-21H,4-18H2,1-3H3
InChIKeyMEPYGJWDYAJRKY-UHFFFAOYSA-N
MW322.58 g/mol
LogP7.33
Rot. Bonds

About 3,5,18-trimethylcyclononadecan-1-one

3,5,18-trimethylcyclononadecan-1-one (PubChem CID 71369920) has the molecular formula C22H42O and a molecular weight of 322.58 g/mol. Its IUPAC name is 3,5,18-trimethylcyclononadecan-1-one.

Molecular Properties

Compound Name3,5,18-trimethylcyclononadecan-1-one
PubChem CID71369920
Molecular FormulaC22H42O
Molecular Weight322.58 g/mol
Exact Mass322.32
IUPAC Name3,5,18-trimethylcyclononadecan-1-one
SMILESCC1CCCCCCCCCCCCC(C)CC(C)CC(=O)C1
InChIInChI=1S/C22H42O/c1-19-14-12-10-8-6-4-5-7-9-11-13-15-20(2)17-22(23)18-21(3)16-19/h19-21H,4-18H2,1-3H3
InChIKeyMEPYGJWDYAJRKY-UHFFFAOYSA-N
XLogP7.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.58
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5,18-trimethylcyclononadecan-1-one?
The IUPAC name of 3,5,18-trimethylcyclononadecan-1-one (CID 71369920) is 3,5,18-trimethylcyclononadecan-1-one.
What is the SMILES notation for 3,5,18-trimethylcyclononadecan-1-one?
The canonical SMILES for 3,5,18-trimethylcyclononadecan-1-one is CC1CCCCCCCCCCCCC(C)CC(C)CC(=O)C1.
What is the InChIKey of 3,5,18-trimethylcyclononadecan-1-one?
The InChIKey is MEPYGJWDYAJRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42O/c1-19-14-12-10-8-6-4-5-7-9-11-13-15-20(2)17-22(23)18-21(3)16-19/h19-21H,4-18H2,1-3H3.
What are the key properties of 3,5,18-trimethylcyclononadecan-1-one?
3,5,18-trimethylcyclononadecan-1-one has a molecular weight of 322.58 g/mol, XLogP of 7.33, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,18-trimethylcyclononadecan-1-one is sourced from PubChem (CID 71369920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).