3-ethyl-4,8-dimethyldecane

C14H30 — CID 57491716

IUPAC3-ethyl-4,8-dimethyldecane
SMILESCCC(C)CCCC(C)C(CC)CC
InChIInChI=1S/C14H30/c1-6-12(4)10-9-11-13(5)14(7-2)8-3/h12-14H,6-11H2,1-5H3
InChIKeyDZTGWRKJMJNVSX-UHFFFAOYSA-N
MW198.39 g/mol
LogP5.28
Rot. Bonds8

About 3-ethyl-4,8-dimethyldecane

3-ethyl-4,8-dimethyldecane (PubChem CID 57491716) has the molecular formula C14H30 and a molecular weight of 198.39 g/mol. Its IUPAC name is 3-ethyl-4,8-dimethyldecane.

Molecular Properties

Compound Name3-ethyl-4,8-dimethyldecane
PubChem CID57491716
Molecular FormulaC14H30
Molecular Weight198.39 g/mol
Exact Mass198.23
IUPAC Name3-ethyl-4,8-dimethyldecane
SMILESCCC(C)CCCC(C)C(CC)CC
InChIInChI=1S/C14H30/c1-6-12(4)10-9-11-13(5)14(7-2)8-3/h12-14H,6-11H2,1-5H3
InChIKeyDZTGWRKJMJNVSX-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500198.39
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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6-butyl-3,7-dimethylundecane
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9-ethyl-3,8-dimethyl-4-propyldodecane
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2,6,10,14,18,22,26-heptamethyloctacosane
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3-ethyl-7-methylnonane
CID 526426
7-ethyl-3,6-dimethyldecane
CID 57491785
3,4,5,9-tetramethylundecan-2-ol
CID 91616574
(7R,11R,15R,19R,23R,27S)-3-ethyl-7,11,15,19,23,27-hexamethylnonacosane
CID 90874427
2,6,10,15,19-pentamethylhenicosane
CID 6428617
magnesium;2,6-dimethyloctane;dibromide
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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4,8-dimethyldecane?
The IUPAC name of 3-ethyl-4,8-dimethyldecane (CID 57491716) is 3-ethyl-4,8-dimethyldecane.
What is the SMILES notation for 3-ethyl-4,8-dimethyldecane?
The canonical SMILES for 3-ethyl-4,8-dimethyldecane is CCC(C)CCCC(C)C(CC)CC.
What is the InChIKey of 3-ethyl-4,8-dimethyldecane?
The InChIKey is DZTGWRKJMJNVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30/c1-6-12(4)10-9-11-13(5)14(7-2)8-3/h12-14H,6-11H2,1-5H3.
What are the key properties of 3-ethyl-4,8-dimethyldecane?
3-ethyl-4,8-dimethyldecane has a molecular weight of 198.39 g/mol, XLogP of 5.28, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4,8-dimethyldecane is sourced from PubChem (CID 57491716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).