1,2-dimethyl-3-[(Z)-3-methylbut-1-enyl]benzene

C13H18 — CID 143027707

IUPAC1,2-dimethyl-3-[(Z)-3-methylbut-1-enyl]benzene
SMILESCc1cccc(/C=C\C(C)C)c1C
InChIInChI=1S/C13H18/c1-10(2)8-9-13-7-5-6-11(3)12(13)4/h5-10H,1-4H3/b9-8-
InChIKeyVRMIUIJVNBWDPH-HJWRWDBZSA-N
MW174.29 g/mol
LogP3.97
Rot. Bonds2

About 1,2-dimethyl-3-[(Z)-3-methylbut-1-enyl]benzene

1,2-dimethyl-3-[(Z)-3-methylbut-1-enyl]benzene (PubChem CID 143027707) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is 1,2-dimethyl-3-[(Z)-3-methylbut-1-enyl]benzene.

Molecular Properties

Compound Name1,2-dimethyl-3-[(Z)-3-methylbut-1-enyl]benzene
PubChem CID143027707
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name1,2-dimethyl-3-[(Z)-3-methylbut-1-enyl]benzene
SMILESCc1cccc(/C=C\C(C)C)c1C
InChIInChI=1S/C13H18/c1-10(2)8-9-13-7-5-6-11(3)12(13)4/h5-10H,1-4H3/b9-8-
InChIKeyVRMIUIJVNBWDPH-HJWRWDBZSA-N
XLogP3.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[(Z)-2-(2,3-dimethylphenyl)ethenyl]-2,3-dimethylbenzene
CID 135028757
1-[(Z)-3-(4-bromophenyl)-3-[(Z)-1-(4-bromophenyl)-3-(2,3-dimethylphenyl)prop-2-enyl]sulfanylprop-1-enyl]-2,3-dimethylbenzene
CID 86593388
2-[(2,3-dimethylphenyl)methylidene]-N,3-dimethylbutan-1-amine
CID 79339514
2-[(2,3-dimethylphenyl)methylidene]-3-methylbutan-1-amine
CID 79323692
1,4-dimethyl-2-[(Z)-3-methylbut-1-enyl]benzene
CID 143887772
2,3-dimethylbenzaldehyde;hydrazine
CID 158628869
2-[(2,3-dimethylphenyl)methylidene]propanedinitrile
CID 130159320
ethane;1,2,3-trimethylbenzene
CID 54068667
benzene;1,2,3-trimethylbenzene
CID 159605245
1,2-dimethyl-3-[(E)-4-phenylbut-3-en-2-yl]benzene
CID 18968341
benzaldehyde;2,3-dimethylbenzaldehyde
CID 174844516
CID 101387687
CID 101387687

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-[(Z)-3-methylbut-1-enyl]benzene?
The IUPAC name of 1,2-dimethyl-3-[(Z)-3-methylbut-1-enyl]benzene (CID 143027707) is 1,2-dimethyl-3-[(Z)-3-methylbut-1-enyl]benzene.
What is the SMILES notation for 1,2-dimethyl-3-[(Z)-3-methylbut-1-enyl]benzene?
The canonical SMILES for 1,2-dimethyl-3-[(Z)-3-methylbut-1-enyl]benzene is Cc1cccc(/C=C\C(C)C)c1C.
What is the InChIKey of 1,2-dimethyl-3-[(Z)-3-methylbut-1-enyl]benzene?
The InChIKey is VRMIUIJVNBWDPH-HJWRWDBZSA-N. The full InChI is InChI=1S/C13H18/c1-10(2)8-9-13-7-5-6-11(3)12(13)4/h5-10H,1-4H3/b9-8-.
What are the key properties of 1,2-dimethyl-3-[(Z)-3-methylbut-1-enyl]benzene?
1,2-dimethyl-3-[(Z)-3-methylbut-1-enyl]benzene has a molecular weight of 174.29 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-[(Z)-3-methylbut-1-enyl]benzene is sourced from PubChem (CID 143027707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).