butane;ethane;1-ethyl-2-methylbenzene;methane

C16H32 — CID 144514138

IUPACbutane;ethane;1-ethyl-2-methylbenzene;methane
SMILESC.CC.CCCC.CCc1ccccc1C
InChIInChI=1S/C9H12.C4H10.C2H6.CH4/c1-3-9-7-5-4-6-8(9)2;1-3-4-2;1-2;/h4-7H,3H2,1-2H3;3-4H2,1-2H3;1-2H3;1H4
InChIKeyFKXKXVOGAYVGTA-UHFFFAOYSA-N
MW224.43 g/mol
LogP6.03
Rot. Bonds2

About butane;ethane;1-ethyl-2-methylbenzene;methane

butane;ethane;1-ethyl-2-methylbenzene;methane (PubChem CID 144514138) has the molecular formula C16H32 and a molecular weight of 224.43 g/mol. Its IUPAC name is butane;ethane;1-ethyl-2-methylbenzene;methane.

Molecular Properties

Compound Namebutane;ethane;1-ethyl-2-methylbenzene;methane
PubChem CID144514138
Molecular FormulaC16H32
Molecular Weight224.43 g/mol
Exact Mass224.25
IUPAC Namebutane;ethane;1-ethyl-2-methylbenzene;methane
SMILESC.CC.CCCC.CCc1ccccc1C
InChIInChI=1S/C9H12.C4H10.C2H6.CH4/c1-3-9-7-5-4-6-8(9)2;1-3-4-2;1-2;/h4-7H,3H2,1-2H3;3-4H2,1-2H3;1-2H3;1H4
InChIKeyFKXKXVOGAYVGTA-UHFFFAOYSA-N
XLogP6.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.43
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of butane;ethane;1-ethyl-2-methylbenzene;methane?
The IUPAC name of butane;ethane;1-ethyl-2-methylbenzene;methane (CID 144514138) is butane;ethane;1-ethyl-2-methylbenzene;methane.
What is the SMILES notation for butane;ethane;1-ethyl-2-methylbenzene;methane?
The canonical SMILES for butane;ethane;1-ethyl-2-methylbenzene;methane is C.CC.CCCC.CCc1ccccc1C.
What is the InChIKey of butane;ethane;1-ethyl-2-methylbenzene;methane?
The InChIKey is FKXKXVOGAYVGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C4H10.C2H6.CH4/c1-3-9-7-5-4-6-8(9)2;1-3-4-2;1-2;/h4-7H,3H2,1-2H3;3-4H2,1-2H3;1-2H3;1H4.
What are the key properties of butane;ethane;1-ethyl-2-methylbenzene;methane?
butane;ethane;1-ethyl-2-methylbenzene;methane has a molecular weight of 224.43 g/mol, XLogP of 6.03, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethane;1-ethyl-2-methylbenzene;methane is sourced from PubChem (CID 144514138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).