4-(3,7-dimethyloctoxy)-2-ethenyl-1-methoxybenzene

C19H30O2 — CID 5225511

IUPAC4-(3,7-dimethyloctoxy)-2-ethenyl-1-methoxybenzene
SMILESC=Cc1cc(OCCC(C)CCCC(C)C)ccc1OC
InChIInChI=1S/C19H30O2/c1-6-17-14-18(10-11-19(17)20-5)21-13-12-16(4)9-7-8-15(2)3/h6,10-11,14-16H,1,7-9,12-13H2,2-5H3
InChIKeyRARNUIDAMFKCJV-UHFFFAOYSA-N
MW290.45 g/mol
LogP5.57
Rot. Bonds10

About 4-(3,7-dimethyloctoxy)-2-ethenyl-1-methoxybenzene

4-(3,7-dimethyloctoxy)-2-ethenyl-1-methoxybenzene (PubChem CID 5225511) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is 4-(3,7-dimethyloctoxy)-2-ethenyl-1-methoxybenzene.

Molecular Properties

Compound Name4-(3,7-dimethyloctoxy)-2-ethenyl-1-methoxybenzene
PubChem CID5225511
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Name4-(3,7-dimethyloctoxy)-2-ethenyl-1-methoxybenzene
SMILESC=Cc1cc(OCCC(C)CCCC(C)C)ccc1OC
InChIInChI=1S/C19H30O2/c1-6-17-14-18(10-11-19(17)20-5)21-13-12-16(4)9-7-8-15(2)3/h6,10-11,14-16H,1,7-9,12-13H2,2-5H3
InChIKeyRARNUIDAMFKCJV-UHFFFAOYSA-N
XLogP5.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,7-dimethyloctoxy)-2-ethenyl-1-methoxybenzene?
The IUPAC name of 4-(3,7-dimethyloctoxy)-2-ethenyl-1-methoxybenzene (CID 5225511) is 4-(3,7-dimethyloctoxy)-2-ethenyl-1-methoxybenzene.
What is the SMILES notation for 4-(3,7-dimethyloctoxy)-2-ethenyl-1-methoxybenzene?
The canonical SMILES for 4-(3,7-dimethyloctoxy)-2-ethenyl-1-methoxybenzene is C=Cc1cc(OCCC(C)CCCC(C)C)ccc1OC.
What is the InChIKey of 4-(3,7-dimethyloctoxy)-2-ethenyl-1-methoxybenzene?
The InChIKey is RARNUIDAMFKCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O2/c1-6-17-14-18(10-11-19(17)20-5)21-13-12-16(4)9-7-8-15(2)3/h6,10-11,14-16H,1,7-9,12-13H2,2-5H3.
What are the key properties of 4-(3,7-dimethyloctoxy)-2-ethenyl-1-methoxybenzene?
4-(3,7-dimethyloctoxy)-2-ethenyl-1-methoxybenzene has a molecular weight of 290.45 g/mol, XLogP of 5.57, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,7-dimethyloctoxy)-2-ethenyl-1-methoxybenzene is sourced from PubChem (CID 5225511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).