8-ethyl-4,6-dimethyldodecane

C16H34 — CID 123186055

IUPAC8-ethyl-4,6-dimethyldodecane
SMILESCCCCC(CC)CC(C)CC(C)CCC
InChIInChI=1S/C16H34/c1-6-9-11-16(8-3)13-15(5)12-14(4)10-7-2/h14-16H,6-13H2,1-5H3
InChIKeyWRSWRAFNSNHUDS-UHFFFAOYSA-N
MW226.45 g/mol
LogP6.06
Rot. Bonds10

About 8-ethyl-4,6-dimethyldodecane

8-ethyl-4,6-dimethyldodecane (PubChem CID 123186055) has the molecular formula C16H34 and a molecular weight of 226.45 g/mol. Its IUPAC name is 8-ethyl-4,6-dimethyldodecane.

Molecular Properties

Compound Name8-ethyl-4,6-dimethyldodecane
PubChem CID123186055
Molecular FormulaC16H34
Molecular Weight226.45 g/mol
Exact Mass226.27
IUPAC Name8-ethyl-4,6-dimethyldodecane
SMILESCCCCC(CC)CC(C)CC(C)CCC
InChIInChI=1S/C16H34/c1-6-9-11-16(8-3)13-15(5)12-14(4)10-7-2/h14-16H,6-13H2,1-5H3
InChIKeyWRSWRAFNSNHUDS-UHFFFAOYSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.45
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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7-ethyl-3,5,9-trimethyldodecane
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5,9-diethyl-7-(2-ethylpentyl)tridecane
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5,9-dibutyl-7-methyltridecane
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11-ethyl-9-methylhenicosane
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5,9-diethyl-7-(2-methylpropyl)tridecane
CID 173141748
3,5,7,9-tetramethyldodecane
CID 91047062
3,5,7,9,11,13,15-heptamethyloctadecane
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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-4,6-dimethyldodecane?
The IUPAC name of 8-ethyl-4,6-dimethyldodecane (CID 123186055) is 8-ethyl-4,6-dimethyldodecane.
What is the SMILES notation for 8-ethyl-4,6-dimethyldodecane?
The canonical SMILES for 8-ethyl-4,6-dimethyldodecane is CCCCC(CC)CC(C)CC(C)CCC.
What is the InChIKey of 8-ethyl-4,6-dimethyldodecane?
The InChIKey is WRSWRAFNSNHUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34/c1-6-9-11-16(8-3)13-15(5)12-14(4)10-7-2/h14-16H,6-13H2,1-5H3.
What are the key properties of 8-ethyl-4,6-dimethyldodecane?
8-ethyl-4,6-dimethyldodecane has a molecular weight of 226.45 g/mol, XLogP of 6.06, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-4,6-dimethyldodecane is sourced from PubChem (CID 123186055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).