1,4-dimethyl-2-[(Z)-3-methylbut-1-enyl]benzene

C13H18 — CID 143887772

IUPAC1,4-dimethyl-2-[(Z)-3-methylbut-1-enyl]benzene
SMILESCc1ccc(C)c(/C=C\C(C)C)c1
InChIInChI=1S/C13H18/c1-10(2)5-8-13-9-11(3)6-7-12(13)4/h5-10H,1-4H3/b8-5-
InChIKeyLNQFTDLTRQADJF-YVMONPNESA-N
MW174.29 g/mol
LogP3.97
Rot. Bonds2

About 1,4-dimethyl-2-[(Z)-3-methylbut-1-enyl]benzene

1,4-dimethyl-2-[(Z)-3-methylbut-1-enyl]benzene (PubChem CID 143887772) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is 1,4-dimethyl-2-[(Z)-3-methylbut-1-enyl]benzene.

Molecular Properties

Compound Name1,4-dimethyl-2-[(Z)-3-methylbut-1-enyl]benzene
PubChem CID143887772
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name1,4-dimethyl-2-[(Z)-3-methylbut-1-enyl]benzene
SMILESCc1ccc(C)c(/C=C\C(C)C)c1
InChIInChI=1S/C13H18/c1-10(2)5-8-13-9-11(3)6-7-12(13)4/h5-10H,1-4H3/b8-5-
InChIKeyLNQFTDLTRQADJF-YVMONPNESA-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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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2-[(Z)-3-methylbut-1-enyl]benzene?
The IUPAC name of 1,4-dimethyl-2-[(Z)-3-methylbut-1-enyl]benzene (CID 143887772) is 1,4-dimethyl-2-[(Z)-3-methylbut-1-enyl]benzene.
What is the SMILES notation for 1,4-dimethyl-2-[(Z)-3-methylbut-1-enyl]benzene?
The canonical SMILES for 1,4-dimethyl-2-[(Z)-3-methylbut-1-enyl]benzene is Cc1ccc(C)c(/C=C\C(C)C)c1.
What is the InChIKey of 1,4-dimethyl-2-[(Z)-3-methylbut-1-enyl]benzene?
The InChIKey is LNQFTDLTRQADJF-YVMONPNESA-N. The full InChI is InChI=1S/C13H18/c1-10(2)5-8-13-9-11(3)6-7-12(13)4/h5-10H,1-4H3/b8-5-.
What are the key properties of 1,4-dimethyl-2-[(Z)-3-methylbut-1-enyl]benzene?
1,4-dimethyl-2-[(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 1,4-dimethyl-2-[(Z)-3-methylbut-1-enyl]benzene is sourced from PubChem (CID 143887772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).