ethane;1-methoxy-3-methyl-5-propylbenzene;propane

C16H30O — CID 176999731

IUPACethane;1-methoxy-3-methyl-5-propylbenzene;propane
SMILESCC.CCC.CCCc1cc(C)cc(OC)c1
InChIInChI=1S/C11H16O.C3H8.C2H6/c1-4-5-10-6-9(2)7-11(8-10)12-3;1-3-2;1-2/h6-8H,4-5H2,1-3H3;3H2,1-2H3;1-2H3
InChIKeyJXPSRZVMJWLEGI-UHFFFAOYSA-N
MW238.41 g/mol
LogP5.40
Rot. Bonds3

About ethane;1-methoxy-3-methyl-5-propylbenzene;propane

ethane;1-methoxy-3-methyl-5-propylbenzene;propane (PubChem CID 176999731) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is ethane;1-methoxy-3-methyl-5-propylbenzene;propane.

Molecular Properties

Compound Nameethane;1-methoxy-3-methyl-5-propylbenzene;propane
PubChem CID176999731
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Nameethane;1-methoxy-3-methyl-5-propylbenzene;propane
SMILESCC.CCC.CCCc1cc(C)cc(OC)c1
InChIInChI=1S/C11H16O.C3H8.C2H6/c1-4-5-10-6-9(2)7-11(8-10)12-3;1-3-2;1-2/h6-8H,4-5H2,1-3H3;3H2,1-2H3;1-2H3
InChIKeyJXPSRZVMJWLEGI-UHFFFAOYSA-N
XLogP5.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.41
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methoxy-3-methyl-5-propylbenzene;propane?
The IUPAC name of ethane;1-methoxy-3-methyl-5-propylbenzene;propane (CID 176999731) is ethane;1-methoxy-3-methyl-5-propylbenzene;propane.
What is the SMILES notation for ethane;1-methoxy-3-methyl-5-propylbenzene;propane?
The canonical SMILES for ethane;1-methoxy-3-methyl-5-propylbenzene;propane is CC.CCC.CCCc1cc(C)cc(OC)c1.
What is the InChIKey of ethane;1-methoxy-3-methyl-5-propylbenzene;propane?
The InChIKey is JXPSRZVMJWLEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O.C3H8.C2H6/c1-4-5-10-6-9(2)7-11(8-10)12-3;1-3-2;1-2/h6-8H,4-5H2,1-3H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;1-methoxy-3-methyl-5-propylbenzene;propane?
ethane;1-methoxy-3-methyl-5-propylbenzene;propane has a molecular weight of 238.41 g/mol, XLogP of 5.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methoxy-3-methyl-5-propylbenzene;propane is sourced from PubChem (CID 176999731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).