ethene;1-ethyl-2-(methoxymethyl)-4-methylbenzene

C13H20O — CID 143093796

IUPACethene;1-ethyl-2-(methoxymethyl)-4-methylbenzene
SMILESC=C.CCc1ccc(C)cc1COC
InChIInChI=1S/C11H16O.C2H4/c1-4-10-6-5-9(2)7-11(10)8-12-3;1-2/h5-7H,4,8H2,1-3H3;1-2H2
InChIKeyZOSJPJKJDGQULU-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.51
Rot. Bonds3

About ethene;1-ethyl-2-(methoxymethyl)-4-methylbenzene

ethene;1-ethyl-2-(methoxymethyl)-4-methylbenzene (PubChem CID 143093796) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is ethene;1-ethyl-2-(methoxymethyl)-4-methylbenzene.

Molecular Properties

Compound Nameethene;1-ethyl-2-(methoxymethyl)-4-methylbenzene
PubChem CID143093796
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Nameethene;1-ethyl-2-(methoxymethyl)-4-methylbenzene
SMILESC=C.CCc1ccc(C)cc1COC
InChIInChI=1S/C11H16O.C2H4/c1-4-10-6-5-9(2)7-11(10)8-12-3;1-2/h5-7H,4,8H2,1-3H3;1-2H2
InChIKeyZOSJPJKJDGQULU-UHFFFAOYSA-N
XLogP3.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-4-methoxy-2-(methoxymethyl)benzene
CID 143738113
1,2-diethyl-4-methylbenzene;methane
CID 174446118
ethane;2-(methoxymethyl)-1,4-dimethylbenzene
CID 143876448
(2-ethyl-5-methylphenyl)methyl nitrite
CID 154301727
1-[2-(methoxymethyl)-5-methylphenyl]-N-methylmethanamine
CID 170208514
ethyl 2-(methoxymethyl)-4-methylbenzoate
CID 177243717
ethane;2-(methoxymethyl)-4-methyl-1-prop-1-en-2-ylbenzene
CID 167502985
N-methoxy-2-(methoxymethyl)-5-methylaniline
CID 126676119
butan-2-one;ethane;2-(methoxymethyl)-4-methyl-1-(4-methylphenyl)benzene
CID 142999553
2-ethyl-1-(iodomethyl)-4-methylbenzene
CID 91883824
1,2-diethyl-4-methylbenzene;N-methylethanamine
CID 164855873
2-ethyl-1-(2-ethyl-4-methylphenoxy)-4-methylbenzene
CID 57313101

Frequently Asked Questions

What is the IUPAC name of ethene;1-ethyl-2-(methoxymethyl)-4-methylbenzene?
The IUPAC name of ethene;1-ethyl-2-(methoxymethyl)-4-methylbenzene (CID 143093796) is ethene;1-ethyl-2-(methoxymethyl)-4-methylbenzene.
What is the SMILES notation for ethene;1-ethyl-2-(methoxymethyl)-4-methylbenzene?
The canonical SMILES for ethene;1-ethyl-2-(methoxymethyl)-4-methylbenzene is C=C.CCc1ccc(C)cc1COC.
What is the InChIKey of ethene;1-ethyl-2-(methoxymethyl)-4-methylbenzene?
The InChIKey is ZOSJPJKJDGQULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O.C2H4/c1-4-10-6-5-9(2)7-11(10)8-12-3;1-2/h5-7H,4,8H2,1-3H3;1-2H2.
What are the key properties of ethene;1-ethyl-2-(methoxymethyl)-4-methylbenzene?
ethene;1-ethyl-2-(methoxymethyl)-4-methylbenzene has a molecular weight of 192.30 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;1-ethyl-2-(methoxymethyl)-4-methylbenzene is sourced from PubChem (CID 143093796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).