4-ethyl-2,7-dimethyloctane

C12H26 — CID 53423923

IUPAC4-ethyl-2,7-dimethyloctane
SMILESCCC(CCC(C)C)CC(C)C
InChIInChI=1S/C12H26/c1-6-12(9-11(4)5)8-7-10(2)3/h10-12H,6-9H2,1-5H3
InChIKeyKSVMIUVYLYZDMT-UHFFFAOYSA-N
MW170.34 g/mol
LogP4.49
Rot. Bonds6

About 4-ethyl-2,7-dimethyloctane

4-ethyl-2,7-dimethyloctane (PubChem CID 53423923) has the molecular formula C12H26 and a molecular weight of 170.34 g/mol. Its IUPAC name is 4-ethyl-2,7-dimethyloctane.

Molecular Properties

Compound Name4-ethyl-2,7-dimethyloctane
PubChem CID53423923
Molecular FormulaC12H26
Molecular Weight170.34 g/mol
Exact Mass170.20
IUPAC Name4-ethyl-2,7-dimethyloctane
SMILESCCC(CCC(C)C)CC(C)C
InChIInChI=1S/C12H26/c1-6-12(9-11(4)5)8-7-10(2)3/h10-12H,6-9H2,1-5H3
InChIKeyKSVMIUVYLYZDMT-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.34
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-ethyl-2-methylheptane;methane
CID 160575103
ethane;4-ethyl-2,9,12-trimethyltridecane
CID 143342118
bis(4-ethyl-2-methylhexane);2-methylbutane
CID 161441490
2-methyl-5-(2-methylpropyl)nonane
CID 57492288
6-ethyl-4,9-dimethyldec-2-ene
CID 91215867
5,9-diethyl-7-(2-methylpropyl)tridecane
CID 173141748
4-ethyl-2-methyldecane
CID 19893744
2,8-dimethyl-5-(3-methylbutyl)nonane
CID 57230829
(6S)-6-ethyl-2,4-dimethylnonane
CID 144657446
2,5-dimethylhexane;2,4-dimethylpentane;2-methylpropane
CID 158252913
3,6-diethyloctane
CID 526424
2,8-dimethyl-5-propylnonane
CID 57014492

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,7-dimethyloctane?
The IUPAC name of 4-ethyl-2,7-dimethyloctane (CID 53423923) is 4-ethyl-2,7-dimethyloctane.
What is the SMILES notation for 4-ethyl-2,7-dimethyloctane?
The canonical SMILES for 4-ethyl-2,7-dimethyloctane is CCC(CCC(C)C)CC(C)C.
What is the InChIKey of 4-ethyl-2,7-dimethyloctane?
The InChIKey is KSVMIUVYLYZDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26/c1-6-12(9-11(4)5)8-7-10(2)3/h10-12H,6-9H2,1-5H3.
What are the key properties of 4-ethyl-2,7-dimethyloctane?
4-ethyl-2,7-dimethyloctane has a molecular weight of 170.34 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,7-dimethyloctane is sourced from PubChem (CID 53423923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).