1-ethenyl-3-methyl-2-octoxybenzene

C17H26O — CID 174464142

IUPAC1-ethenyl-3-methyl-2-octoxybenzene
SMILESC=Cc1cccc(C)c1OCCCCCCCC
InChIInChI=1S/C17H26O/c1-4-6-7-8-9-10-14-18-17-15(3)12-11-13-16(17)5-2/h5,11-13H,2,4,6-10,14H2,1,3H3
InChIKeyHMQUOMPJKWKGRB-UHFFFAOYSA-N
MW246.39 g/mol
LogP5.38
Rot. Bonds9

About 1-ethenyl-3-methyl-2-octoxybenzene

1-ethenyl-3-methyl-2-octoxybenzene (PubChem CID 174464142) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 1-ethenyl-3-methyl-2-octoxybenzene.

Molecular Properties

Compound Name1-ethenyl-3-methyl-2-octoxybenzene
PubChem CID174464142
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name1-ethenyl-3-methyl-2-octoxybenzene
SMILESC=Cc1cccc(C)c1OCCCCCCCC
InChIInChI=1S/C17H26O/c1-4-6-7-8-9-10-14-18-17-15(3)12-11-13-16(17)5-2/h5,11-13H,2,4,6-10,14H2,1,3H3
InChIKeyHMQUOMPJKWKGRB-UHFFFAOYSA-N
XLogP5.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.39
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-decoxy-1,3-dimethylbenzene
CID 83057478
1-ethenyl-2-methylbenzene;heptane
CID 173354339
1-ethenyl-2-heptadecoxybenzene
CID 139672731
(2-decoxy-3-methylphenyl)methanamine
CID 115951875
(2-decoxy-3-methylphenyl)methanol
CID 115956202
1-(bromomethyl)-2-hexoxy-3-methylbenzene
CID 112614137
1-(bromomethyl)-3-methyl-2-octoxybenzene
CID 112614072
1-(2-decoxy-3-methylphenyl)-N-methylmethanamine
CID 115952261
2-heptoxy-3-methylbenzoic acid
CID 54560597
2,3-dimethyl-1,4-di(nonoxy)naphthalene
CID 153323309
1,4-diheptoxy-2,3-dimethylnaphthalene
CID 153323338
2,6-dimethylphenol;2-hexoxy-1,3-dimethylbenzene;1-iodohexane
CID 161403557

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-methyl-2-octoxybenzene?
The IUPAC name of 1-ethenyl-3-methyl-2-octoxybenzene (CID 174464142) is 1-ethenyl-3-methyl-2-octoxybenzene.
What is the SMILES notation for 1-ethenyl-3-methyl-2-octoxybenzene?
The canonical SMILES for 1-ethenyl-3-methyl-2-octoxybenzene is C=Cc1cccc(C)c1OCCCCCCCC.
What is the InChIKey of 1-ethenyl-3-methyl-2-octoxybenzene?
The InChIKey is HMQUOMPJKWKGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-4-6-7-8-9-10-14-18-17-15(3)12-11-13-16(17)5-2/h5,11-13H,2,4,6-10,14H2,1,3H3.
What are the key properties of 1-ethenyl-3-methyl-2-octoxybenzene?
1-ethenyl-3-methyl-2-octoxybenzene has a molecular weight of 246.39 g/mol, XLogP of 5.38, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-methyl-2-octoxybenzene is sourced from PubChem (CID 174464142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).