4,4,6,12-tetramethyloctadecane

C22H46 — CID 123154666

IUPAC4,4,6,12-tetramethyloctadecane
SMILESCCCCCCC(C)CCCCCC(C)CC(C)(C)CCC
InChIInChI=1S/C22H46/c1-7-9-10-12-15-20(3)16-13-11-14-17-21(4)19-22(5,6)18-8-2/h20-21H,7-19H2,1-6H3
InChIKeyFTLIGBWDOWYKSS-UHFFFAOYSA-N
MW310.61 g/mol
LogP8.40
Rot. Bonds15

About 4,4,6,12-tetramethyloctadecane

4,4,6,12-tetramethyloctadecane (PubChem CID 123154666) has the molecular formula C22H46 and a molecular weight of 310.61 g/mol. Its IUPAC name is 4,4,6,12-tetramethyloctadecane.

Molecular Properties

Compound Name4,4,6,12-tetramethyloctadecane
PubChem CID123154666
Molecular FormulaC22H46
Molecular Weight310.61 g/mol
Exact Mass310.36
IUPAC Name4,4,6,12-tetramethyloctadecane
SMILESCCCCCCC(C)CCCCCC(C)CC(C)(C)CCC
InChIInChI=1S/C22H46/c1-7-9-10-12-15-20(3)16-13-11-14-17-21(4)19-22(5,6)18-8-2/h20-21H,7-19H2,1-6H3
InChIKeyFTLIGBWDOWYKSS-UHFFFAOYSA-N
XLogP8.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.61
LogP ≤ 58.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

pentane;7,7,9-trimethylpentadecane
CID 161309819
6,6,8-trimethyltridecane
CID 123736183
4,4,7-trimethyldodecane
CID 91411996
4,6,6-trimethyldodecane
CID 123621829
2,2,4-trimethyltetradecane
CID 19913540
2,2,4-trimethylundecane
CID 57127021
9-methyldocosane
CID 22223822
10,20-dimethyltriacontane
CID 91752048
13-methyldotriacontane
CID 6430396
27-methyltripentacontane
CID 91450521
8,13-dimethyloctacosane
CID 71323274
6-methylheptacosane
CID 22223776

Frequently Asked Questions

What is the IUPAC name of 4,4,6,12-tetramethyloctadecane?
The IUPAC name of 4,4,6,12-tetramethyloctadecane (CID 123154666) is 4,4,6,12-tetramethyloctadecane.
What is the SMILES notation for 4,4,6,12-tetramethyloctadecane?
The canonical SMILES for 4,4,6,12-tetramethyloctadecane is CCCCCCC(C)CCCCCC(C)CC(C)(C)CCC.
What is the InChIKey of 4,4,6,12-tetramethyloctadecane?
The InChIKey is FTLIGBWDOWYKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46/c1-7-9-10-12-15-20(3)16-13-11-14-17-21(4)19-22(5,6)18-8-2/h20-21H,7-19H2,1-6H3.
What are the key properties of 4,4,6,12-tetramethyloctadecane?
4,4,6,12-tetramethyloctadecane has a molecular weight of 310.61 g/mol, XLogP of 8.40, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6,12-tetramethyloctadecane is sourced from PubChem (CID 123154666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).