ethane;1-ethyl-3-methylbenzene;methane;propane

C15H30 — CID 161003738

IUPACethane;1-ethyl-3-methylbenzene;methane;propane
SMILESC.CC.CCC.CCc1cccc(C)c1
InChIInChI=1S/C9H12.C3H8.C2H6.CH4/c1-3-9-6-4-5-8(2)7-9;1-3-2;1-2;/h4-7H,3H2,1-2H3;3H2,1-2H3;1-2H3;1H4
InChIKeyTWFQMYIJUZCWMT-UHFFFAOYSA-N
MW210.40 g/mol
LogP5.64
Rot. Bonds1

About ethane;1-ethyl-3-methylbenzene;methane;propane

ethane;1-ethyl-3-methylbenzene;methane;propane (PubChem CID 161003738) has the molecular formula C15H30 and a molecular weight of 210.40 g/mol. Its IUPAC name is ethane;1-ethyl-3-methylbenzene;methane;propane.

Molecular Properties

Compound Nameethane;1-ethyl-3-methylbenzene;methane;propane
PubChem CID161003738
Molecular FormulaC15H30
Molecular Weight210.40 g/mol
Exact Mass210.23
IUPAC Nameethane;1-ethyl-3-methylbenzene;methane;propane
SMILESC.CC.CCC.CCc1cccc(C)c1
InChIInChI=1S/C9H12.C3H8.C2H6.CH4/c1-3-9-6-4-5-8(2)7-9;1-3-2;1-2;/h4-7H,3H2,1-2H3;3H2,1-2H3;1-2H3;1H4
InChIKeyTWFQMYIJUZCWMT-UHFFFAOYSA-N
XLogP5.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.40
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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1,3-diethylbenzene;1,4-diethylbenzene;methane;1,4-xylene
CID 158740154
1-butyl-3-methylbenzene;ethane;propane
CID 142068173
carbanide;ethane;1-ethyl-4-methylbenzene;methane;1,3-xylene;yttrium
CID 164981167
cyclopropylbenzene;ethane;1-ethyl-3-methylbenzene
CID 142052943
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CID 91350329
ethylbenzene;methane;propane;toluene
CID 159984760
CID 142053159
CID 142053159

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-3-methylbenzene;methane;propane?
The IUPAC name of ethane;1-ethyl-3-methylbenzene;methane;propane (CID 161003738) is ethane;1-ethyl-3-methylbenzene;methane;propane.
What is the SMILES notation for ethane;1-ethyl-3-methylbenzene;methane;propane?
The canonical SMILES for ethane;1-ethyl-3-methylbenzene;methane;propane is C.CC.CCC.CCc1cccc(C)c1.
What is the InChIKey of ethane;1-ethyl-3-methylbenzene;methane;propane?
The InChIKey is TWFQMYIJUZCWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C3H8.C2H6.CH4/c1-3-9-6-4-5-8(2)7-9;1-3-2;1-2;/h4-7H,3H2,1-2H3;3H2,1-2H3;1-2H3;1H4.
What are the key properties of ethane;1-ethyl-3-methylbenzene;methane;propane?
ethane;1-ethyl-3-methylbenzene;methane;propane has a molecular weight of 210.40 g/mol, XLogP of 5.64, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-3-methylbenzene;methane;propane is sourced from PubChem (CID 161003738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).