3,4-diethyl-6,7,8,11-tetramethyltridecane

C21H44 — CID 123415762

IUPAC3,4-diethyl-6,7,8,11-tetramethyltridecane
SMILESCCC(C)CCC(C)C(C)C(C)CC(CC)C(CC)CC
InChIInChI=1S/C21H44/c1-9-16(5)13-14-17(6)19(8)18(7)15-21(12-4)20(10-2)11-3/h16-21H,9-15H2,1-8H3
InChIKeyFOWBVYRDHJRKMB-UHFFFAOYSA-N
MW296.58 g/mol
LogP7.57
Rot. Bonds12

About 3,4-diethyl-6,7,8,11-tetramethyltridecane

3,4-diethyl-6,7,8,11-tetramethyltridecane (PubChem CID 123415762) has the molecular formula C21H44 and a molecular weight of 296.58 g/mol. Its IUPAC name is 3,4-diethyl-6,7,8,11-tetramethyltridecane.

Molecular Properties

Compound Name3,4-diethyl-6,7,8,11-tetramethyltridecane
PubChem CID123415762
Molecular FormulaC21H44
Molecular Weight296.58 g/mol
Exact Mass296.34
IUPAC Name3,4-diethyl-6,7,8,11-tetramethyltridecane
SMILESCCC(C)CCC(C)C(C)C(C)CC(CC)C(CC)CC
InChIInChI=1S/C21H44/c1-9-16(5)13-14-17(6)19(8)18(7)15-21(12-4)20(10-2)11-3/h16-21H,9-15H2,1-8H3
InChIKeyFOWBVYRDHJRKMB-UHFFFAOYSA-N
XLogP7.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.58
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,6,7,8-tetramethyltridecane
CID 123428805
ethane;3,6,7,10-tetramethyldodecane
CID 143901344
7-ethyl-3,6-dimethyldecane
CID 57491785
2,4,7,8,9-pentamethylundec-1-ene
CID 90965506
3,5-dimethylheptane;3,4-dimethylhexane;3,6-dimethyloctane
CID 161182355
(3R,6R)-3,6-dimethylnonane
CID 170848352
8-ethyl-2,3,5,9-tetramethyldecane
CID 123544515
7-ethyl-3,4,5,9-tetramethyl-8-propan-2-ylundecane
CID 90819140
3-ethyl-4,8-dimethyldecane
CID 57491716
2-ethyl-5-methylheptane-1,1-diol
CID 141178551
7-ethyl-2,3,4,8-tetramethylnonane
CID 123811114
5-ethyl-3,6,8-trimethyldecane
CID 173141656

Frequently Asked Questions

What is the IUPAC name of 3,4-diethyl-6,7,8,11-tetramethyltridecane?
The IUPAC name of 3,4-diethyl-6,7,8,11-tetramethyltridecane (CID 123415762) is 3,4-diethyl-6,7,8,11-tetramethyltridecane.
What is the SMILES notation for 3,4-diethyl-6,7,8,11-tetramethyltridecane?
The canonical SMILES for 3,4-diethyl-6,7,8,11-tetramethyltridecane is CCC(C)CCC(C)C(C)C(C)CC(CC)C(CC)CC.
What is the InChIKey of 3,4-diethyl-6,7,8,11-tetramethyltridecane?
The InChIKey is FOWBVYRDHJRKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44/c1-9-16(5)13-14-17(6)19(8)18(7)15-21(12-4)20(10-2)11-3/h16-21H,9-15H2,1-8H3.
What are the key properties of 3,4-diethyl-6,7,8,11-tetramethyltridecane?
3,4-diethyl-6,7,8,11-tetramethyltridecane has a molecular weight of 296.58 g/mol, XLogP of 7.57, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethyl-6,7,8,11-tetramethyltridecane is sourced from PubChem (CID 123415762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).