7-ethyl-3,6-dimethyldecane

C14H30 — CID 57491785

IUPAC7-ethyl-3,6-dimethyldecane
SMILESCCCC(CC)C(C)CCC(C)CC
InChIInChI=1S/C14H30/c1-6-9-14(8-3)13(5)11-10-12(4)7-2/h12-14H,6-11H2,1-5H3
InChIKeyJOLLZLZQKRFVLI-UHFFFAOYSA-N
MW198.39 g/mol
LogP5.28
Rot. Bonds8

About 7-ethyl-3,6-dimethyldecane

7-ethyl-3,6-dimethyldecane (PubChem CID 57491785) has the molecular formula C14H30 and a molecular weight of 198.39 g/mol. Its IUPAC name is 7-ethyl-3,6-dimethyldecane.

Molecular Properties

Compound Name7-ethyl-3,6-dimethyldecane
PubChem CID57491785
Molecular FormulaC14H30
Molecular Weight198.39 g/mol
Exact Mass198.23
IUPAC Name7-ethyl-3,6-dimethyldecane
SMILESCCCC(CC)C(C)CCC(C)CC
InChIInChI=1S/C14H30/c1-6-9-14(8-3)13(5)11-10-12(4)7-2/h12-14H,6-11H2,1-5H3
InChIKeyJOLLZLZQKRFVLI-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

6-ethyl-2,5-dimethylnonane
CID 54499682
4,8-diethyl-5-methylundecane
CID 59928875
4,5-diethyloctane
CID 519254
ethane;3,6,7,10-tetramethyldodecane
CID 143901344
(3R,6R)-3,6-dimethylnonane
CID 170848352
4-ethyl-3-methylheptan-1-amine
CID 143231179
3-ethyl-4,8-dimethyldecane
CID 57491716
3-ethyl-2-methylhexan-1-amine
CID 91121737
tris(3,4-diethylheptane);methane
CID 160558798
3,4-diethylheptane;ethane
CID 144734225
6-butyl-3,7-dimethylundecane
CID 123359248
9-ethyl-3,8-dimethyl-4-propyldodecane
CID 142338103

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-3,6-dimethyldecane?
The IUPAC name of 7-ethyl-3,6-dimethyldecane (CID 57491785) is 7-ethyl-3,6-dimethyldecane.
What is the SMILES notation for 7-ethyl-3,6-dimethyldecane?
The canonical SMILES for 7-ethyl-3,6-dimethyldecane is CCCC(CC)C(C)CCC(C)CC.
What is the InChIKey of 7-ethyl-3,6-dimethyldecane?
The InChIKey is JOLLZLZQKRFVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30/c1-6-9-14(8-3)13(5)11-10-12(4)7-2/h12-14H,6-11H2,1-5H3.
What are the key properties of 7-ethyl-3,6-dimethyldecane?
7-ethyl-3,6-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 7-ethyl-3,6-dimethyldecane is sourced from PubChem (CID 57491785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).