ethoxyethane;formaldehyde;1-methyl-4-propylbenzene;propane

C18H34O2 — CID 143083964

IUPACethoxyethane;formaldehyde;1-methyl-4-propylbenzene;propane
SMILESC=O.CCC.CCCc1ccc(C)cc1.CCOCC
InChIInChI=1S/C10H14.C4H10O.C3H8.CH2O/c1-3-4-10-7-5-9(2)6-8-10;1-3-5-4-2;1-3-2;1-2/h5-8H,3-4H2,1-2H3;3-4H2,1-2H3;3H2,1-2H3;1H2
InChIKeyQISLDUOMNARUMD-UHFFFAOYSA-N
MW282.47 g/mol
LogP5.22
Rot. Bonds4

About ethoxyethane;formaldehyde;1-methyl-4-propylbenzene;propane

ethoxyethane;formaldehyde;1-methyl-4-propylbenzene;propane (PubChem CID 143083964) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is ethoxyethane;formaldehyde;1-methyl-4-propylbenzene;propane.

Molecular Properties

Compound Nameethoxyethane;formaldehyde;1-methyl-4-propylbenzene;propane
PubChem CID143083964
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Nameethoxyethane;formaldehyde;1-methyl-4-propylbenzene;propane
SMILESC=O.CCC.CCCc1ccc(C)cc1.CCOCC
InChIInChI=1S/C10H14.C4H10O.C3H8.CH2O/c1-3-4-10-7-5-9(2)6-8-10;1-3-5-4-2;1-3-2;1-2/h5-8H,3-4H2,1-2H3;3-4H2,1-2H3;3H2,1-2H3;1H2
InChIKeyQISLDUOMNARUMD-UHFFFAOYSA-N
XLogP5.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.47
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

butane;ethane;1-methyl-4-propylbenzene;propane
CID 142050311
1-methyl-4-propylbenzene;molecular fluorine
CID 167533310
1-methyl-4-(4-propylphenyl)benzene
CID 157416879
1-methyl-4-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene
CID 140875006
ethane;formamide;1-methyl-4-propylbenzene
CID 143471754
1-methyl-4-propylbenzene;trifluoroalumane
CID 174704537
ethane;2-methylpropane;1-methyl-4-propylbenzene
CID 142174844
1-(ethoxymethyl)-4-methylbenzene
CID 12727419
1-methyl-4-phenylbenzene;1-phenyl-4-propylbenzene
CID 143481088
formaldehyde;2-(4-methylphenyl)ethanamine
CID 142897602
1-butyl-4-methylbenzene;1-ethyl-4-methylbenzene;1-methyl-4-propylbenzene
CID 159106327
1-methyl-4-[2-[4-[2-(4-propylphenyl)ethyl]phenyl]ethynyl]benzene
CID 139767054

Frequently Asked Questions

What is the IUPAC name of ethoxyethane;formaldehyde;1-methyl-4-propylbenzene;propane?
The IUPAC name of ethoxyethane;formaldehyde;1-methyl-4-propylbenzene;propane (CID 143083964) is ethoxyethane;formaldehyde;1-methyl-4-propylbenzene;propane.
What is the SMILES notation for ethoxyethane;formaldehyde;1-methyl-4-propylbenzene;propane?
The canonical SMILES for ethoxyethane;formaldehyde;1-methyl-4-propylbenzene;propane is C=O.CCC.CCCc1ccc(C)cc1.CCOCC.
What is the InChIKey of ethoxyethane;formaldehyde;1-methyl-4-propylbenzene;propane?
The InChIKey is QISLDUOMNARUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.C4H10O.C3H8.CH2O/c1-3-4-10-7-5-9(2)6-8-10;1-3-5-4-2;1-3-2;1-2/h5-8H,3-4H2,1-2H3;3-4H2,1-2H3;3H2,1-2H3;1H2.
What are the key properties of ethoxyethane;formaldehyde;1-methyl-4-propylbenzene;propane?
ethoxyethane;formaldehyde;1-methyl-4-propylbenzene;propane has a molecular weight of 282.47 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;formaldehyde;1-methyl-4-propylbenzene;propane is sourced from PubChem (CID 143083964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).