1-(2-ethyl-4-methylpentyl)-2-methoxybenzene;1-methoxy-2-prop-2-enylbenzene;prop-1-ene

C28H42O2 — CID 160728606

IUPAC1-(2-ethyl-4-methylpentyl)-2-methoxybenzene;1-methoxy-2-prop-2-enylbenzene;prop-1-ene
SMILESC=CC.C=CCc1ccccc1OC.CCC(Cc1ccccc1OC)CC(C)C
InChIInChI=1S/C15H24O.C10H12O.C3H6/c1-5-13(10-12(2)3)11-14-8-6-7-9-15(14)16-4;1-3-6-9-7-4-5-8-10(9)11-2;1-3-2/h6-9,12-13H,5,10-11H2,1-4H3;3-5,7-8H,1,6H2,2H3;3H,1H2,2H3
InChIKeyRUAPEZOTKVXAIQ-UHFFFAOYSA-N
MW410.64 g/mol
LogP7.93
Rot. Bonds9

About 1-(2-ethyl-4-methylpentyl)-2-methoxybenzene;1-methoxy-2-prop-2-enylbenzene;prop-1-ene

1-(2-ethyl-4-methylpentyl)-2-methoxybenzene;1-methoxy-2-prop-2-enylbenzene;prop-1-ene (PubChem CID 160728606) has the molecular formula C28H42O2 and a molecular weight of 410.64 g/mol. Its IUPAC name is 1-(2-ethyl-4-methylpentyl)-2-methoxybenzene;1-methoxy-2-prop-2-enylbenzene;prop-1-ene.

Molecular Properties

Compound Name1-(2-ethyl-4-methylpentyl)-2-methoxybenzene;1-methoxy-2-prop-2-enylbenzene;prop-1-ene
PubChem CID160728606
Molecular FormulaC28H42O2
Molecular Weight410.64 g/mol
Exact Mass410.32
IUPAC Name1-(2-ethyl-4-methylpentyl)-2-methoxybenzene;1-methoxy-2-prop-2-enylbenzene;prop-1-ene
SMILESC=CC.C=CCc1ccccc1OC.CCC(Cc1ccccc1OC)CC(C)C
InChIInChI=1S/C15H24O.C10H12O.C3H6/c1-5-13(10-12(2)3)11-14-8-6-7-9-15(14)16-4;1-3-6-9-7-4-5-8-10(9)11-2;1-3-2/h6-9,12-13H,5,10-11H2,1-4H3;3-5,7-8H,1,6H2,2H3;3H,1H2,2H3
InChIKeyRUAPEZOTKVXAIQ-UHFFFAOYSA-N
XLogP7.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.64
LogP ≤ 57.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethyl-4-methyloctyl)-2-methoxybenzene;hex-1-ene;1-methoxy-2-prop-2-enylbenzene
CID 159343707
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CID 63498326
1-[2-(chloromethyl)butyl]-2-methoxybenzene
CID 66035902
1-(2-ethylhexyl)-2-methoxybenzene
CID 160716483
2-[(2-methoxyphenyl)methyl]-N-methylbutan-1-amine
CID 62530565
N-[1-(2-methoxyphenyl)propan-2-yl]-2,6-dimethylheptan-4-amine
CID 63452997
[4-ethyl-1-(2-methoxyphenyl)hexan-2-yl]hydrazine
CID 105205098
1-(2-methoxyphenyl)-N,4-dimethylpentan-2-amine
CID 61066103
1-(2-prop-2-enylphenoxy)propan-1-ol
CID 70371312
1-(2-methoxyphenyl)-3-methylpentan-2-ol
CID 63018266
2-(2-prop-2-enylphenoxy)propanenitrile
CID 13355012
1-[2-(bromomethyl)-5-methylhexyl]-2-methoxybenzene
CID 66041959

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-4-methylpentyl)-2-methoxybenzene;1-methoxy-2-prop-2-enylbenzene;prop-1-ene?
The IUPAC name of 1-(2-ethyl-4-methylpentyl)-2-methoxybenzene;1-methoxy-2-prop-2-enylbenzene;prop-1-ene (CID 160728606) is 1-(2-ethyl-4-methylpentyl)-2-methoxybenzene;1-methoxy-2-prop-2-enylbenzene;prop-1-ene.
What is the SMILES notation for 1-(2-ethyl-4-methylpentyl)-2-methoxybenzene;1-methoxy-2-prop-2-enylbenzene;prop-1-ene?
The canonical SMILES for 1-(2-ethyl-4-methylpentyl)-2-methoxybenzene;1-methoxy-2-prop-2-enylbenzene;prop-1-ene is C=CC.C=CCc1ccccc1OC.CCC(Cc1ccccc1OC)CC(C)C.
What is the InChIKey of 1-(2-ethyl-4-methylpentyl)-2-methoxybenzene;1-methoxy-2-prop-2-enylbenzene;prop-1-ene?
The InChIKey is RUAPEZOTKVXAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O.C10H12O.C3H6/c1-5-13(10-12(2)3)11-14-8-6-7-9-15(14)16-4;1-3-6-9-7-4-5-8-10(9)11-2;1-3-2/h6-9,12-13H,5,10-11H2,1-4H3;3-5,7-8H,1,6H2,2H3;3H,1H2,2H3.
What are the key properties of 1-(2-ethyl-4-methylpentyl)-2-methoxybenzene;1-methoxy-2-prop-2-enylbenzene;prop-1-ene?
1-(2-ethyl-4-methylpentyl)-2-methoxybenzene;1-methoxy-2-prop-2-enylbenzene;prop-1-ene has a molecular weight of 410.64 g/mol, XLogP of 7.93, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-4-methylpentyl)-2-methoxybenzene;1-methoxy-2-prop-2-enylbenzene;prop-1-ene is sourced from PubChem (CID 160728606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).