1,2,3,4-tetramethyl-5-[(Z)-prop-1-enyl]benzene

C13H18 — CID 159527924

IUPAC1,2,3,4-tetramethyl-5-[(Z)-prop-1-enyl]benzene
SMILESC/C=C\c1cc(C)c(C)c(C)c1C
InChIInChI=1S/C13H18/c1-6-7-13-8-9(2)10(3)11(4)12(13)5/h6-8H,1-5H3/b7-6-
InChIKeyIPXPJVAYZOUNBA-SREVYHEPSA-N
MW174.29 g/mol
LogP3.95
Rot. Bonds1

About 1,2,3,4-tetramethyl-5-[(Z)-prop-1-enyl]benzene

1,2,3,4-tetramethyl-5-[(Z)-prop-1-enyl]benzene (PubChem CID 159527924) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is 1,2,3,4-tetramethyl-5-[(Z)-prop-1-enyl]benzene.

Molecular Properties

Compound Name1,2,3,4-tetramethyl-5-[(Z)-prop-1-enyl]benzene
PubChem CID159527924
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name1,2,3,4-tetramethyl-5-[(Z)-prop-1-enyl]benzene
SMILESC/C=C\c1cc(C)c(C)c(C)c1C
InChIInChI=1S/C13H18/c1-6-7-13-8-9(2)10(3)11(4)12(13)5/h6-8H,1-5H3/b7-6-
InChIKeyIPXPJVAYZOUNBA-SREVYHEPSA-N
XLogP3.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,4-dimethyl-2,5-bis[(Z)-prop-1-enyl]benzene;ethane
CID 142173958
1,2,3-trimethyl-4-[(Z)-prop-1-enyl]benzene
CID 158430591
1,2,3,5-tetramethyl-4-prop-1-enylbenzene
CID 173045732
(E)-2-[2,5-dimethyl-4-[(E)-prop-1-enyl]phenyl]ethenol
CID 143980341
1,2-dimethyl-5-nitro-3-[(Z)-prop-1-enyl]benzene
CID 138501146
1,2-bis(ethenyl)-4,5-dimethyl-3-[(Z)-prop-1-enyl]benzene;buta-1,3-diene;ethane
CID 153344480
1-fluoro-2,4,5-trimethyl-3-[(E)-prop-1-enyl]benzene
CID 155174997
1-methyl-4-[(E)-prop-1-enyl]-2-[(Z)-prop-1-enyl]benzene
CID 143856242
(E)-1-(4-ethylsulfanylphenyl)-3-(2,3,4,5-tetramethylphenyl)prop-2-en-1-one
CID 19824738
1,2,3,4-tetramethyl-5-[(1E,6E)-2,4,5-trimethyl-3-methylidene-7-(2,3,4,5-tetramethylphenyl)hepta-1,4,6-trienyl]benzene
CID 162275839
4-methyl-3-prop-1-enylphenol
CID 59722537
1,4-dimethyl-2-phenyl-5-[(E)-prop-1-enyl]benzene
CID 170552806

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetramethyl-5-[(Z)-prop-1-enyl]benzene?
The IUPAC name of 1,2,3,4-tetramethyl-5-[(Z)-prop-1-enyl]benzene (CID 159527924) is 1,2,3,4-tetramethyl-5-[(Z)-prop-1-enyl]benzene.
What is the SMILES notation for 1,2,3,4-tetramethyl-5-[(Z)-prop-1-enyl]benzene?
The canonical SMILES for 1,2,3,4-tetramethyl-5-[(Z)-prop-1-enyl]benzene is C/C=C\c1cc(C)c(C)c(C)c1C.
What is the InChIKey of 1,2,3,4-tetramethyl-5-[(Z)-prop-1-enyl]benzene?
The InChIKey is IPXPJVAYZOUNBA-SREVYHEPSA-N. The full InChI is InChI=1S/C13H18/c1-6-7-13-8-9(2)10(3)11(4)12(13)5/h6-8H,1-5H3/b7-6-.
What are the key properties of 1,2,3,4-tetramethyl-5-[(Z)-prop-1-enyl]benzene?
1,2,3,4-tetramethyl-5-[(Z)-prop-1-enyl]benzene has a molecular weight of 174.29 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetramethyl-5-[(Z)-prop-1-enyl]benzene is sourced from PubChem (CID 159527924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).