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

C12H16 — CID 158430591

IUPAC1,2,3-trimethyl-4-[(Z)-prop-1-enyl]benzene
SMILESC/C=C\c1ccc(C)c(C)c1C
InChIInChI=1S/C12H16/c1-5-6-12-8-7-9(2)10(3)11(12)4/h5-8H,1-4H3/b6-5-
InChIKeyOVGFQERTRJRPIP-WAYWQWQTSA-N
MW160.26 g/mol
LogP3.64
Rot. Bonds1

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

1,2,3-trimethyl-4-[(Z)-prop-1-enyl]benzene (PubChem CID 158430591) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is 1,2,3-trimethyl-4-[(Z)-prop-1-enyl]benzene.

Molecular Properties

Compound Name1,2,3-trimethyl-4-[(Z)-prop-1-enyl]benzene
PubChem CID158430591
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Name1,2,3-trimethyl-4-[(Z)-prop-1-enyl]benzene
SMILESC/C=C\c1ccc(C)c(C)c1C
InChIInChI=1S/C12H16/c1-5-6-12-8-7-9(2)10(3)11(12)4/h5-8H,1-4H3/b6-5-
InChIKeyOVGFQERTRJRPIP-WAYWQWQTSA-N
XLogP3.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,3,4-tetramethyl-5-[(Z)-prop-1-enyl]benzene
CID 159527924
ruthenium;1,2,3,4-tetramethylbenzene
CID 158325243
2-chloro-1-ethenyl-3-methyl-4-[(Z)-prop-1-enyl]benzene
CID 153376323
1-methyl-4-[(E)-prop-1-enyl]-2-[(Z)-prop-1-enyl]benzene
CID 143856242
1,2,3-trimethyl-4-oct-1-enylbenzene
CID 173045984
4-methyl-3-prop-1-enylphenol
CID 59722537
1,4-dimethyl-2,5-bis[(Z)-prop-1-enyl]benzene;ethane
CID 142173958
4-methyl-1,2-bis(prop-1-enyl)benzene
CID 123860463
ethane;1-methyl-2-[(Z)-prop-1-enyl]benzene
CID 145388668
3-ethylidene-7-methyl-4-prop-1-enyl-1,2-dihydroindene
CID 90753145
1-[(Z)-2-(2,3-dimethylphenyl)ethenyl]-2,3-dimethylbenzene
CID 135028757
4-methoxy-1-methyl-2-[(Z)-prop-1-enyl]benzene
CID 89049645

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethyl-4-[(Z)-prop-1-enyl]benzene?
The IUPAC name of 1,2,3-trimethyl-4-[(Z)-prop-1-enyl]benzene (CID 158430591) is 1,2,3-trimethyl-4-[(Z)-prop-1-enyl]benzene.
What is the SMILES notation for 1,2,3-trimethyl-4-[(Z)-prop-1-enyl]benzene?
The canonical SMILES for 1,2,3-trimethyl-4-[(Z)-prop-1-enyl]benzene is C/C=C\c1ccc(C)c(C)c1C.
What is the InChIKey of 1,2,3-trimethyl-4-[(Z)-prop-1-enyl]benzene?
The InChIKey is OVGFQERTRJRPIP-WAYWQWQTSA-N. The full InChI is InChI=1S/C12H16/c1-5-6-12-8-7-9(2)10(3)11(12)4/h5-8H,1-4H3/b6-5-.
What are the key properties of 1,2,3-trimethyl-4-[(Z)-prop-1-enyl]benzene?
1,2,3-trimethyl-4-[(Z)-prop-1-enyl]benzene has a molecular weight of 160.26 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethyl-4-[(Z)-prop-1-enyl]benzene is sourced from PubChem (CID 158430591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).