3,5-diethyl-2-methyloctane

C13H28 — CID 57491216

IUPAC3,5-diethyl-2-methyloctane
SMILESCCCC(CC)CC(CC)C(C)C
InChIInChI=1S/C13H28/c1-6-9-12(7-2)10-13(8-3)11(4)5/h11-13H,6-10H2,1-5H3
InChIKeyODQLVTXRKYKCFJ-UHFFFAOYSA-N
MW184.37 g/mol
LogP4.89
Rot. Bonds7

About 3,5-diethyl-2-methyloctane

3,5-diethyl-2-methyloctane (PubChem CID 57491216) has the molecular formula C13H28 and a molecular weight of 184.37 g/mol. Its IUPAC name is 3,5-diethyl-2-methyloctane.

Molecular Properties

Compound Name3,5-diethyl-2-methyloctane
PubChem CID57491216
Molecular FormulaC13H28
Molecular Weight184.37 g/mol
Exact Mass184.22
IUPAC Name3,5-diethyl-2-methyloctane
SMILESCCCC(CC)CC(CC)C(C)C
InChIInChI=1S/C13H28/c1-6-9-12(7-2)10-13(8-3)11(4)5/h11-13H,6-10H2,1-5H3
InChIKeyODQLVTXRKYKCFJ-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.37
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(3R)-3-ethyl-2-methylhexane
CID 59954424
4-ethyl-6-hexan-3-yl-10-methyltridecane
CID 91319415
4,6-diethyl-2,3,9-trimethyldodecane
CID 123599024
4-ethyl-2-methylheptane;methane
CID 160575103
4-ethyl-N,N-dimethyl-2-(3-methylbutan-2-yl)heptan-1-amine
CID 170849414
3-ethyl-2-methyl-5-(2-methylpropyl)nonane
CID 123359342
4-ethyl-2-propan-2-yloctan-1-ol
CID 66060699
2-propan-2-yl-4-propylpentane-1,5-diol
CID 18794987
4,5,7-triethylundecane
CID 123222302
4,9-diethyl-6-(2-ethylpentyl)dodecane
CID 59445443
(6S)-6-ethyl-2,4-dimethylnonane
CID 144657446
4-ethyl-N-methyl-2-propan-2-yloctan-1-amine
CID 63521141

Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-2-methyloctane?
The IUPAC name of 3,5-diethyl-2-methyloctane (CID 57491216) is 3,5-diethyl-2-methyloctane.
What is the SMILES notation for 3,5-diethyl-2-methyloctane?
The canonical SMILES for 3,5-diethyl-2-methyloctane is CCCC(CC)CC(CC)C(C)C.
What is the InChIKey of 3,5-diethyl-2-methyloctane?
The InChIKey is ODQLVTXRKYKCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28/c1-6-9-12(7-2)10-13(8-3)11(4)5/h11-13H,6-10H2,1-5H3.
What are the key properties of 3,5-diethyl-2-methyloctane?
3,5-diethyl-2-methyloctane has a molecular weight of 184.37 g/mol, XLogP of 4.89, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-2-methyloctane is sourced from PubChem (CID 57491216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).