ethane;ethylbenzene;propane

C13H24 — CID 91199618

IUPACethane;ethylbenzene;propane
SMILESCC.CCC.CCc1ccccc1
InChIInChI=1S/C8H10.C3H8.C2H6/c1-2-8-6-4-3-5-7-8;1-3-2;1-2/h3-7H,2H2,1H3;3H2,1-2H3;1-2H3
InChIKeyCFTKZLLBZJFAFE-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.69
Rot. Bonds1

About ethane;ethylbenzene;propane

ethane;ethylbenzene;propane (PubChem CID 91199618) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is ethane;ethylbenzene;propane.

Molecular Properties

Compound Nameethane;ethylbenzene;propane
PubChem CID91199618
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Nameethane;ethylbenzene;propane
SMILESCC.CCC.CCc1ccccc1
InChIInChI=1S/C8H10.C3H8.C2H6/c1-2-8-6-4-3-5-7-8;1-3-2;1-2/h3-7H,2H2,1H3;3H2,1-2H3;1-2H3
InChIKeyCFTKZLLBZJFAFE-UHFFFAOYSA-N
XLogP4.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;ethylbenzene
CID 90887003
ethylbenzene;propane;hydroiodide
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ethylcyclodecapentaene
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CID 143490350
ethane;ethylbenzene;methanol
CID 90833594
ethylbenzene;molybdenum
CID 161189179
sulfanium ethylbenzene
CID 22726309
ethane;ethylbenzene;methoxymethane
CID 91307642
ethane;ethylbenzene;toluene
CID 159408087
carbon monoxide;ethylbenzene
CID 158511344
ethylazanium;ethylbenzene
CID 163634184
ethylbenzene;N-methylmethanamine
CID 19063869

Frequently Asked Questions

What is the IUPAC name of ethane;ethylbenzene;propane?
The IUPAC name of ethane;ethylbenzene;propane (CID 91199618) is ethane;ethylbenzene;propane.
What is the SMILES notation for ethane;ethylbenzene;propane?
The canonical SMILES for ethane;ethylbenzene;propane is CC.CCC.CCc1ccccc1.
What is the InChIKey of ethane;ethylbenzene;propane?
The InChIKey is CFTKZLLBZJFAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C3H8.C2H6/c1-2-8-6-4-3-5-7-8;1-3-2;1-2/h3-7H,2H2,1H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;ethylbenzene;propane?
ethane;ethylbenzene;propane has a molecular weight of 180.33 g/mol, XLogP of 4.69, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethylbenzene;propane is sourced from PubChem (CID 91199618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).