3,6-diethyloctane

C12H26 — CID 526424

IUPAC3,6-diethyloctane
SMILESCCC(CC)CCC(CC)CC
InChIInChI=1S/C12H26/c1-5-11(6-2)9-10-12(7-3)8-4/h11-12H,5-10H2,1-4H3
InChIKeyUTCTYSTYZOAAOS-UHFFFAOYSA-N
MW170.34 g/mol
LogP4.64
Rot. Bonds7

About 3,6-diethyloctane

3,6-diethyloctane (PubChem CID 526424) has the molecular formula C12H26 and a molecular weight of 170.34 g/mol. Its IUPAC name is 3,6-diethyloctane.

Molecular Properties

Compound Name3,6-diethyloctane
PubChem CID526424
Molecular FormulaC12H26
Molecular Weight170.34 g/mol
Exact Mass170.20
IUPAC Name3,6-diethyloctane
SMILESCCC(CC)CCC(CC)CC
InChIInChI=1S/C12H26/c1-5-11(6-2)9-10-12(7-3)8-4/h11-12H,5-10H2,1-4H3
InChIKeyUTCTYSTYZOAAOS-UHFFFAOYSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.34
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,7-diethylnonane
CID 22089120
3,6-diethylundecane
CID 22051817
CID 149257469
CID 149257469
5-ethylheptane-1,2-diamine
CID 57197564
5-ethyl-2-methylheptane-1-thiol
CID 89234473
3-ethyl-6-methyldecane
CID 57490928
3-ethyl-6,11-dimethyltridecane
CID 123237146
3-ethylicosane
CID 528487
3-ethyloctane;propane
CID 143682929
3-ethylpentacosane
CID 22224239
3,5,8-triethyldecane-1,10-diol
CID 87065848
4-ethylheptane;methane
CID 143165373

Frequently Asked Questions

What is the IUPAC name of 3,6-diethyloctane?
The IUPAC name of 3,6-diethyloctane (CID 526424) is 3,6-diethyloctane.
What is the SMILES notation for 3,6-diethyloctane?
The canonical SMILES for 3,6-diethyloctane is CCC(CC)CCC(CC)CC.
What is the InChIKey of 3,6-diethyloctane?
The InChIKey is UTCTYSTYZOAAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26/c1-5-11(6-2)9-10-12(7-3)8-4/h11-12H,5-10H2,1-4H3.
What are the key properties of 3,6-diethyloctane?
3,6-diethyloctane has a molecular weight of 170.34 g/mol, XLogP of 4.64, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diethyloctane is sourced from PubChem (CID 526424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).