1-ethyl-4-methoxybenzene;1-ethyl-4-(methoxymethyl)benzene;2-ethyl-6-(methoxymethyl)naphthalene;2-ethyl-6-methoxynaphthalene;methane;methoxymethane;methylsulfanylmethane;propane

C58H96O5S — CID 160998793

IUPAC1-ethyl-4-methoxybenzene;1-ethyl-4-(methoxymethyl)benzene;2-ethyl-6-(methoxymethyl)naphthalene;2-ethyl-6-methoxynaphthalene;methane;methoxymethane;methylsulfanylmethane;propane
SMILESC.C.C.C.C.CCC.CCc1ccc(COC)cc1.CCc1ccc(OC)cc1.CCc1ccc2cc(COC)ccc2c1.CCc1ccc2cc(OC)ccc2c1.COC.CSC
InChIInChI=1S/C14H16O.C13H14O.C10H14O.C9H12O.C3H8.C2H6O.C2H6S.5CH4/c1-3-11-4-6-14-9-12(10-15-2)5-7-13(14)8-11;1-3-10-4-5-12-9-13(14-2)7-6-11(12)8-10;1-3-9-4-6-10(7-5-9)8-11-2;1-3-8-4-6-9(10-2)7-5-8;3*1-3-2;;;;;/h4-9H,3,10H2,1-2H3;4-9H,3H2,1-2H3;4-7H,3,8H2,1-2H3;4-7H,3H2,1-2H3;3H2,1-2H3;2*1-2H3;5*1H4
InChIKeyTVPAKXQONAWOCP-UHFFFAOYSA-N
MW905.47 g/mol
LogP17.45
Rot. Bonds10

About 1-ethyl-4-methoxybenzene;1-ethyl-4-(methoxymethyl)benzene;2-ethyl-6-(methoxymethyl)naphthalene;2-ethyl-6-methoxynaphthalene;methane;methoxymethane;methylsulfanylmethane;propane

1-ethyl-4-methoxybenzene;1-ethyl-4-(methoxymethyl)benzene;2-ethyl-6-(methoxymethyl)naphthalene;2-ethyl-6-methoxynaphthalene;methane;methoxymethane;methylsulfanylmethane;propane (PubChem CID 160998793) has the molecular formula C58H96O5S and a molecular weight of 905.47 g/mol. Its IUPAC name is 1-ethyl-4-methoxybenzene;1-ethyl-4-(methoxymethyl)benzene;2-ethyl-6-(methoxymethyl)naphthalene;2-ethyl-6-methoxynaphthalene;methane;methoxymethane;methylsulfanylmethane;propane.

Molecular Properties

Compound Name1-ethyl-4-methoxybenzene;1-ethyl-4-(methoxymethyl)benzene;2-ethyl-6-(methoxymethyl)naphthalene;2-ethyl-6-methoxynaphthalene;methane;methoxymethane;methylsulfanylmethane;propane
PubChem CID160998793
Molecular FormulaC58H96O5S
Molecular Weight905.47 g/mol
Exact Mass904.70
IUPAC Name1-ethyl-4-methoxybenzene;1-ethyl-4-(methoxymethyl)benzene;2-ethyl-6-(methoxymethyl)naphthalene;2-ethyl-6-methoxynaphthalene;methane;methoxymethane;methylsulfanylmethane;propane
SMILESC.C.C.C.C.CCC.CCc1ccc(COC)cc1.CCc1ccc(OC)cc1.CCc1ccc2cc(COC)ccc2c1.CCc1ccc2cc(OC)ccc2c1.COC.CSC
InChIInChI=1S/C14H16O.C13H14O.C10H14O.C9H12O.C3H8.C2H6O.C2H6S.5CH4/c1-3-11-4-6-14-9-12(10-15-2)5-7-13(14)8-11;1-3-10-4-5-12-9-13(14-2)7-6-11(12)8-10;1-3-9-4-6-10(7-5-9)8-11-2;1-3-8-4-6-9(10-2)7-5-8;3*1-3-2;;;;;/h4-9H,3,10H2,1-2H3;4-9H,3H2,1-2H3;4-7H,3,8H2,1-2H3;4-7H,3H2,1-2H3;3H2,1-2H3;2*1-2H3;5*1H4
InChIKeyTVPAKXQONAWOCP-UHFFFAOYSA-N
XLogP17.45
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500905.47
LogP ≤ 517.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-methoxybenzene;1-ethyl-4-(methoxymethyl)benzene;2-ethyl-6-(methoxymethyl)naphthalene;2-ethyl-6-methoxynaphthalene;methane;methoxymethane;methylsulfanylmethane;propane?
The IUPAC name of 1-ethyl-4-methoxybenzene;1-ethyl-4-(methoxymethyl)benzene;2-ethyl-6-(methoxymethyl)naphthalene;2-ethyl-6-methoxynaphthalene;methane;methoxymethane;methylsulfanylmethane;propane (CID 160998793) is 1-ethyl-4-methoxybenzene;1-ethyl-4-(methoxymethyl)benzene;2-ethyl-6-(methoxymethyl)naphthalene;2-ethyl-6-methoxynaphthalene;methane;methoxymethane;methylsulfanylmethane;propane.
What is the SMILES notation for 1-ethyl-4-methoxybenzene;1-ethyl-4-(methoxymethyl)benzene;2-ethyl-6-(methoxymethyl)naphthalene;2-ethyl-6-methoxynaphthalene;methane;methoxymethane;methylsulfanylmethane;propane?
The canonical SMILES for 1-ethyl-4-methoxybenzene;1-ethyl-4-(methoxymethyl)benzene;2-ethyl-6-(methoxymethyl)naphthalene;2-ethyl-6-methoxynaphthalene;methane;methoxymethane;methylsulfanylmethane;propane is C.C.C.C.C.CCC.CCc1ccc(COC)cc1.CCc1ccc(OC)cc1.CCc1ccc2cc(COC)ccc2c1.CCc1ccc2cc(OC)ccc2c1.COC.CSC.
What is the InChIKey of 1-ethyl-4-methoxybenzene;1-ethyl-4-(methoxymethyl)benzene;2-ethyl-6-(methoxymethyl)naphthalene;2-ethyl-6-methoxynaphthalene;methane;methoxymethane;methylsulfanylmethane;propane?
The InChIKey is TVPAKXQONAWOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O.C13H14O.C10H14O.C9H12O.C3H8.C2H6O.C2H6S.5CH4/c1-3-11-4-6-14-9-12(10-15-2)5-7-13(14)8-11;1-3-10-4-5-12-9-13(14-2)7-6-11(12)8-10;1-3-9-4-6-10(7-5-9)8-11-2;1-3-8-4-6-9(10-2)7-5-8;3*1-3-2;;;;;/h4-9H,3,10H2,1-2H3;4-9H,3H2,1-2H3;4-7H,3,8H2,1-2H3;4-7H,3H2,1-2H3;3H2,1-2H3;2*1-2H3;5*1H4.
What are the key properties of 1-ethyl-4-methoxybenzene;1-ethyl-4-(methoxymethyl)benzene;2-ethyl-6-(methoxymethyl)naphthalene;2-ethyl-6-methoxynaphthalene;methane;methoxymethane;methylsulfanylmethane;propane?
1-ethyl-4-methoxybenzene;1-ethyl-4-(methoxymethyl)benzene;2-ethyl-6-(methoxymethyl)naphthalene;2-ethyl-6-methoxynaphthalene;methane;methoxymethane;methylsulfanylmethane;propane has a molecular weight of 905.47 g/mol, XLogP of 17.45, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methoxybenzene;1-ethyl-4-(methoxymethyl)benzene;2-ethyl-6-(methoxymethyl)naphthalene;2-ethyl-6-methoxynaphthalene;methane;methoxymethane;methylsulfanylmethane;propane is sourced from PubChem (CID 160998793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).