1-(3,3-dimethylbut-1-enyl)-4-methoxybenzene

C13H18O — CID 58550641

IUPAC1-(3,3-dimethylbut-1-enyl)-4-methoxybenzene
SMILESCOc1ccc(C=CC(C)(C)C)cc1
InChIInChI=1S/C13H18O/c1-13(2,3)10-9-11-5-7-12(14-4)8-6-11/h5-10H,1-4H3
InChIKeyPUPBRJXHYRTJNQ-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.75
Rot. Bonds2

About 1-(3,3-dimethylbut-1-enyl)-4-methoxybenzene

1-(3,3-dimethylbut-1-enyl)-4-methoxybenzene (PubChem CID 58550641) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-(3,3-dimethylbut-1-enyl)-4-methoxybenzene.

Molecular Properties

Compound Name1-(3,3-dimethylbut-1-enyl)-4-methoxybenzene
PubChem CID58550641
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name1-(3,3-dimethylbut-1-enyl)-4-methoxybenzene
SMILESCOc1ccc(C=CC(C)(C)C)cc1
InChIInChI=1S/C13H18O/c1-13(2,3)10-9-11-5-7-12(14-4)8-6-11/h5-10H,1-4H3
InChIKeyPUPBRJXHYRTJNQ-UHFFFAOYSA-N
XLogP3.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(E)-3,3-dimethylbut-1-enyl]-4-methoxybenzene
CID 10012750
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
6-(3,3-dimethylbut-1-enyl)-2-[(Z)-3,3-dimethylbut-1-enyl]naphthalene
CID 162123922
1-butoxy-4-[(E)-3,3-dimethylbut-1-enyl]benzene
CID 167030876
1-methoxy-4-prop-1-enylbenzene
CID 67322568
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883
1-methoxy-4-(3-methyl-3-phenylpenta-1,4-dienyl)benzene
CID 123460289
1-[(Z)-2-bromoethenyl]-4-methoxybenzene
CID 6166616
CID 135078844
CID 135078844
1,3-dimethoxy-5-[2-(4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)ethenyl]benzene
CID 57369399
1-methoxy-4-[(E)-3-[(2-methylpropan-2-yl)oxy]but-1-enyl]benzene
CID 14939551
(E)-N-tert-butyl-3-(4-methoxyphenyl)prop-2-en-1-imine
CID 14494147

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbut-1-enyl)-4-methoxybenzene?
The IUPAC name of 1-(3,3-dimethylbut-1-enyl)-4-methoxybenzene (CID 58550641) is 1-(3,3-dimethylbut-1-enyl)-4-methoxybenzene.
What is the SMILES notation for 1-(3,3-dimethylbut-1-enyl)-4-methoxybenzene?
The canonical SMILES for 1-(3,3-dimethylbut-1-enyl)-4-methoxybenzene is COc1ccc(C=CC(C)(C)C)cc1.
What is the InChIKey of 1-(3,3-dimethylbut-1-enyl)-4-methoxybenzene?
The InChIKey is PUPBRJXHYRTJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-13(2,3)10-9-11-5-7-12(14-4)8-6-11/h5-10H,1-4H3.
What are the key properties of 1-(3,3-dimethylbut-1-enyl)-4-methoxybenzene?
1-(3,3-dimethylbut-1-enyl)-4-methoxybenzene has a molecular weight of 190.29 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbut-1-enyl)-4-methoxybenzene is sourced from PubChem (CID 58550641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).