7-ethyl-2,4,8-trimethyl-6-(3-methylpentan-2-yl)dodecane

C23H48 — CID 123225543

IUPAC7-ethyl-2,4,8-trimethyl-6-(3-methylpentan-2-yl)dodecane
SMILESCCCCC(C)C(CC)C(CC(C)CC(C)C)C(C)C(C)CC
InChIInChI=1S/C23H48/c1-10-13-14-20(8)22(12-3)23(21(9)19(7)11-2)16-18(6)15-17(4)5/h17-23H,10-16H2,1-9H3
InChIKeyRVAADSQFONHGTH-UHFFFAOYSA-N
MW324.64 g/mol
LogP8.21
Rot. Bonds13

About 7-ethyl-2,4,8-trimethyl-6-(3-methylpentan-2-yl)dodecane

7-ethyl-2,4,8-trimethyl-6-(3-methylpentan-2-yl)dodecane (PubChem CID 123225543) has the molecular formula C23H48 and a molecular weight of 324.64 g/mol. Its IUPAC name is 7-ethyl-2,4,8-trimethyl-6-(3-methylpentan-2-yl)dodecane.

Molecular Properties

Compound Name7-ethyl-2,4,8-trimethyl-6-(3-methylpentan-2-yl)dodecane
PubChem CID123225543
Molecular FormulaC23H48
Molecular Weight324.64 g/mol
Exact Mass324.38
IUPAC Name7-ethyl-2,4,8-trimethyl-6-(3-methylpentan-2-yl)dodecane
SMILESCCCCC(C)C(CC)C(CC(C)CC(C)C)C(C)C(C)CC
InChIInChI=1S/C23H48/c1-10-13-14-20(8)22(12-3)23(21(9)19(7)11-2)16-18(6)15-17(4)5/h17-23H,10-16H2,1-9H3
InChIKeyRVAADSQFONHGTH-UHFFFAOYSA-N
XLogP8.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.64
LogP ≤ 58.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,6-dimethyl-5-propan-2-yldecane
CID 123254389
3,4,5,7-tetramethylundecane
CID 123179058
2,4,6,10-tetramethyltetradecane
CID 123234776
propane;2,4,6-trimethylheptane
CID 165013878
2,4-dimethyloctane;ethene
CID 156719555
3,7-dimethyl-6-(2-methylpropyl)undecane
CID 123589473
3,4,6,7-tetramethyl-5-propylnonane
CID 91018101
2,4-dimethylhexane;hexane
CID 174686373
3,5,6-trimethyldecane
CID 57490917
2,4,5,7-tetramethylundecane
CID 91373064
3,4,5-trimethyltridecane
CID 21201053
3,4-dimethyloctane;ethane;ethene;propane
CID 142827223

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2,4,8-trimethyl-6-(3-methylpentan-2-yl)dodecane?
The IUPAC name of 7-ethyl-2,4,8-trimethyl-6-(3-methylpentan-2-yl)dodecane (CID 123225543) is 7-ethyl-2,4,8-trimethyl-6-(3-methylpentan-2-yl)dodecane.
What is the SMILES notation for 7-ethyl-2,4,8-trimethyl-6-(3-methylpentan-2-yl)dodecane?
The canonical SMILES for 7-ethyl-2,4,8-trimethyl-6-(3-methylpentan-2-yl)dodecane is CCCCC(C)C(CC)C(CC(C)CC(C)C)C(C)C(C)CC.
What is the InChIKey of 7-ethyl-2,4,8-trimethyl-6-(3-methylpentan-2-yl)dodecane?
The InChIKey is RVAADSQFONHGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48/c1-10-13-14-20(8)22(12-3)23(21(9)19(7)11-2)16-18(6)15-17(4)5/h17-23H,10-16H2,1-9H3.
What are the key properties of 7-ethyl-2,4,8-trimethyl-6-(3-methylpentan-2-yl)dodecane?
7-ethyl-2,4,8-trimethyl-6-(3-methylpentan-2-yl)dodecane has a molecular weight of 324.64 g/mol, XLogP of 8.21, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2,4,8-trimethyl-6-(3-methylpentan-2-yl)dodecane is sourced from PubChem (CID 123225543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).