4,8,13,17-tetramethyloctadec-16-ene-2,11-dione

C22H40O2 — CID 87880909

IUPAC4,8,13,17-tetramethyloctadec-16-ene-2,11-dione
SMILESCC(=O)CC(C)CCCC(C)CCC(=O)CC(C)CCC=C(C)C
InChIInChI=1S/C22H40O2/c1-17(2)9-7-11-20(5)16-22(24)14-13-18(3)10-8-12-19(4)15-21(6)23/h9,18-20H,7-8,10-16H2,1-6H3
InChIKeyFNWLUUZSUJIEDF-UHFFFAOYSA-N
MW336.56 g/mol
LogP6.53
Rot. Bonds14

About 4,8,13,17-tetramethyloctadec-16-ene-2,11-dione

4,8,13,17-tetramethyloctadec-16-ene-2,11-dione (PubChem CID 87880909) has the molecular formula C22H40O2 and a molecular weight of 336.56 g/mol. Its IUPAC name is 4,8,13,17-tetramethyloctadec-16-ene-2,11-dione.

Molecular Properties

Compound Name4,8,13,17-tetramethyloctadec-16-ene-2,11-dione
PubChem CID87880909
Molecular FormulaC22H40O2
Molecular Weight336.56 g/mol
Exact Mass336.30
IUPAC Name4,8,13,17-tetramethyloctadec-16-ene-2,11-dione
SMILESCC(=O)CC(C)CCCC(C)CCC(=O)CC(C)CCC=C(C)C
InChIInChI=1S/C22H40O2/c1-17(2)9-7-11-20(5)16-22(24)14-13-18(3)10-8-12-19(4)15-21(6)23/h9,18-20H,7-8,10-16H2,1-6H3
InChIKeyFNWLUUZSUJIEDF-UHFFFAOYSA-N
XLogP6.53
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.56
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

8,12-dimethyltridec-11-ene-3,6-dione
CID 138968115
5,9-dimethyldec-8-enoic acid;3,7-dimethyloct-6-enoic acid
CID 175919951
8,12-dimethyltridec-11-en-4-one
CID 71359316
2,6,10-trimethylundec-2-ene
CID 14805750
6,10-dimethylundec-9-ene-2,3-dione
CID 91218155
2,6,10,13-tetramethyltetradec-2-ene
CID 58292520
methyl (7R)-7,11-dimethyl-3-oxododec-10-enoate
CID 24853912
3,7-dimethyloct-6-enyl 3,7-dimethyloct-6-enoate
CID 3086155
5,9-dimethyldeca-1,8-dien-3-one
CID 85299318
2,6-dimethyl-10-(trideuteriomethyl)dodec-2-ene
CID 11252860
2,5,9-trimethyldeca-1,8-dien-3-one
CID 71382341
CID 173125400
CID 173125400

Frequently Asked Questions

What is the IUPAC name of 4,8,13,17-tetramethyloctadec-16-ene-2,11-dione?
The IUPAC name of 4,8,13,17-tetramethyloctadec-16-ene-2,11-dione (CID 87880909) is 4,8,13,17-tetramethyloctadec-16-ene-2,11-dione.
What is the SMILES notation for 4,8,13,17-tetramethyloctadec-16-ene-2,11-dione?
The canonical SMILES for 4,8,13,17-tetramethyloctadec-16-ene-2,11-dione is CC(=O)CC(C)CCCC(C)CCC(=O)CC(C)CCC=C(C)C.
What is the InChIKey of 4,8,13,17-tetramethyloctadec-16-ene-2,11-dione?
The InChIKey is FNWLUUZSUJIEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40O2/c1-17(2)9-7-11-20(5)16-22(24)14-13-18(3)10-8-12-19(4)15-21(6)23/h9,18-20H,7-8,10-16H2,1-6H3.
What are the key properties of 4,8,13,17-tetramethyloctadec-16-ene-2,11-dione?
4,8,13,17-tetramethyloctadec-16-ene-2,11-dione has a molecular weight of 336.56 g/mol, XLogP of 6.53, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8,13,17-tetramethyloctadec-16-ene-2,11-dione is sourced from PubChem (CID 87880909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).