1-(3-methoxy-3-methylbut-1-en-2-yl)-3-methylbenzene

C13H18O — CID 143192963

IUPAC1-(3-methoxy-3-methylbut-1-en-2-yl)-3-methylbenzene
SMILESC=C(c1cccc(C)c1)C(C)(C)OC
InChIInChI=1S/C13H18O/c1-10-7-6-8-12(9-10)11(2)13(3,4)14-5/h6-9H,2H2,1,3-5H3
InChIKeyZNOKYZKVSQYIKI-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.43
Rot. Bonds3

About 1-(3-methoxy-3-methylbut-1-en-2-yl)-3-methylbenzene

1-(3-methoxy-3-methylbut-1-en-2-yl)-3-methylbenzene (PubChem CID 143192963) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-(3-methoxy-3-methylbut-1-en-2-yl)-3-methylbenzene.

Molecular Properties

Compound Name1-(3-methoxy-3-methylbut-1-en-2-yl)-3-methylbenzene
PubChem CID143192963
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name1-(3-methoxy-3-methylbut-1-en-2-yl)-3-methylbenzene
SMILESC=C(c1cccc(C)c1)C(C)(C)OC
InChIInChI=1S/C13H18O/c1-10-7-6-8-12(9-10)11(2)13(3,4)14-5/h6-9H,2H2,1,3-5H3
InChIKeyZNOKYZKVSQYIKI-UHFFFAOYSA-N
XLogP3.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-3-[3-methyl-3-(3-methylphenoxy)but-1-en-2-yl]benzene
CID 68625870
N-[1-(3-methylphenyl)ethenyl]hydroxylamine
CID 142051233
CID 174102680
CID 174102680
ethane;ethene;1-methyl-3-prop-1-en-2-ylbenzene
CID 142829669
methyl 2-[(3-methylbenzoyl)amino]prop-2-enoate
CID 123522259
3-methylbenzoic acid
CID 7418
methyl N-[1-(3-methylphenyl)ethenyl]ethanimidate
CID 143876122
trimethyl-[1-(3-methylphenyl)ethenoxy]silane
CID 15274400
1-(3-methylphenyl)ethenylhydrazine
CID 129060271
bis(3-methylphenyl)methanone
CID 17848
1,2-bis(3-methylphenyl)ethene-1,2-dithiol
CID 76563900
3-(3-methylphenyl)but-3-enenitrile
CID 166829284

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-3-methylbut-1-en-2-yl)-3-methylbenzene?
The IUPAC name of 1-(3-methoxy-3-methylbut-1-en-2-yl)-3-methylbenzene (CID 143192963) is 1-(3-methoxy-3-methylbut-1-en-2-yl)-3-methylbenzene.
What is the SMILES notation for 1-(3-methoxy-3-methylbut-1-en-2-yl)-3-methylbenzene?
The canonical SMILES for 1-(3-methoxy-3-methylbut-1-en-2-yl)-3-methylbenzene is C=C(c1cccc(C)c1)C(C)(C)OC.
What is the InChIKey of 1-(3-methoxy-3-methylbut-1-en-2-yl)-3-methylbenzene?
The InChIKey is ZNOKYZKVSQYIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-10-7-6-8-12(9-10)11(2)13(3,4)14-5/h6-9H,2H2,1,3-5H3.
What are the key properties of 1-(3-methoxy-3-methylbut-1-en-2-yl)-3-methylbenzene?
1-(3-methoxy-3-methylbut-1-en-2-yl)-3-methylbenzene has a molecular weight of 190.29 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-3-methylbut-1-en-2-yl)-3-methylbenzene is sourced from PubChem (CID 143192963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).