3-ethyl-2,4-dimethylpentane;methane;2-methylpentane

C17H42 — CID 158735959

IUPAC3-ethyl-2,4-dimethylpentane;methane;2-methylpentane
SMILESC.C.CCC(C(C)C)C(C)C.CCCC(C)C
InChIInChI=1S/C9H20.C6H14.2CH4/c1-6-9(7(2)3)8(4)5;1-4-5-6(2)3;;/h7-9H,6H2,1-5H3;6H,4-5H2,1-3H3;2*1H4
InChIKeyILRIOAKTIPWRGG-UHFFFAOYSA-N
MW246.52 g/mol
LogP7.04
Rot. Bonds5

About 3-ethyl-2,4-dimethylpentane;methane;2-methylpentane

3-ethyl-2,4-dimethylpentane;methane;2-methylpentane (PubChem CID 158735959) has the molecular formula C17H42 and a molecular weight of 246.52 g/mol. Its IUPAC name is 3-ethyl-2,4-dimethylpentane;methane;2-methylpentane.

Molecular Properties

Compound Name3-ethyl-2,4-dimethylpentane;methane;2-methylpentane
PubChem CID158735959
Molecular FormulaC17H42
Molecular Weight246.52 g/mol
Exact Mass246.33
IUPAC Name3-ethyl-2,4-dimethylpentane;methane;2-methylpentane
SMILESC.C.CCC(C(C)C)C(C)C.CCCC(C)C
InChIInChI=1S/C9H20.C6H14.2CH4/c1-6-9(7(2)3)8(4)5;1-4-5-6(2)3;;/h7-9H,6H2,1-5H3;6H,4-5H2,1-3H3;2*1H4
InChIKeyILRIOAKTIPWRGG-UHFFFAOYSA-N
XLogP7.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.52
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

methane;2-methylpentane;propane
CID 161026516
ethane;methane;bis(2-methylpentane)
CID 142143156
2-methylpentane
CID 7892
ethane;2-methylpentane
CID 143713716
2-methylpentane;hydroiodide
CID 160726714
azane;2-methylpentane
CID 18347292
azane;2-methylpentane
CID 87098569
methane;(3S,4R)-3-methyl-4-propan-2-ylheptane
CID 159506310
2-methylpentane;titanium(4+);tetrachloride
CID 158147790
ethane;2-methylpentane;pentane;propane
CID 142044971
3-ethyl-4-ethynyl-2-methylheptane
CID 123925941
2,3-dimethylhexane;methane;2-methylbutane;2-methylpentane;3-methylpentane
CID 157158834

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,4-dimethylpentane;methane;2-methylpentane?
The IUPAC name of 3-ethyl-2,4-dimethylpentane;methane;2-methylpentane (CID 158735959) is 3-ethyl-2,4-dimethylpentane;methane;2-methylpentane.
What is the SMILES notation for 3-ethyl-2,4-dimethylpentane;methane;2-methylpentane?
The canonical SMILES for 3-ethyl-2,4-dimethylpentane;methane;2-methylpentane is C.C.CCC(C(C)C)C(C)C.CCCC(C)C.
What is the InChIKey of 3-ethyl-2,4-dimethylpentane;methane;2-methylpentane?
The InChIKey is ILRIOAKTIPWRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20.C6H14.2CH4/c1-6-9(7(2)3)8(4)5;1-4-5-6(2)3;;/h7-9H,6H2,1-5H3;6H,4-5H2,1-3H3;2*1H4.
What are the key properties of 3-ethyl-2,4-dimethylpentane;methane;2-methylpentane?
3-ethyl-2,4-dimethylpentane;methane;2-methylpentane has a molecular weight of 246.52 g/mol, XLogP of 7.04, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,4-dimethylpentane;methane;2-methylpentane is sourced from PubChem (CID 158735959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).