4-methyl-2-[(Z)-prop-1-enyl]-1-prop-1-ynylbenzene

C13H14 — CID 176574438

IUPAC4-methyl-2-[(Z)-prop-1-enyl]-1-prop-1-ynylbenzene
SMILESCC#Cc1ccc(C)cc1/C=C\C
InChIInChI=1S/C13H14/c1-4-6-12-9-8-11(3)10-13(12)7-5-2/h5,7-10H,1-3H3/b7-5-
InChIKeyZKBHFYKFBVWFHD-ALCCZGGFSA-N
MW170.25 g/mol
LogP3.40
Rot. Bonds1

About 4-methyl-2-[(Z)-prop-1-enyl]-1-prop-1-ynylbenzene

4-methyl-2-[(Z)-prop-1-enyl]-1-prop-1-ynylbenzene (PubChem CID 176574438) has the molecular formula C13H14 and a molecular weight of 170.25 g/mol. Its IUPAC name is 4-methyl-2-[(Z)-prop-1-enyl]-1-prop-1-ynylbenzene.

Molecular Properties

Compound Name4-methyl-2-[(Z)-prop-1-enyl]-1-prop-1-ynylbenzene
PubChem CID176574438
Molecular FormulaC13H14
Molecular Weight170.25 g/mol
Exact Mass170.11
IUPAC Name4-methyl-2-[(Z)-prop-1-enyl]-1-prop-1-ynylbenzene
SMILESCC#Cc1ccc(C)cc1/C=C\C
InChIInChI=1S/C13H14/c1-4-6-12-9-8-11(3)10-13(12)7-5-2/h5,7-10H,1-3H3/b7-5-
InChIKeyZKBHFYKFBVWFHD-ALCCZGGFSA-N
XLogP3.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

ethane;4-methyl-2-[(Z)-prop-1-enyl]-1-prop-1-ynylbenzene
CID 176574437
4-methyl-1,2-bis(prop-1-enyl)benzene
CID 123860463
2-ethynyl-4-methyl-1-[(Z)-prop-1-enyl]benzene
CID 153376187
ethane;2-ethenyl-4-methyl-1-[(Z)-prop-1-enyl]benzene
CID 172609650
ethane;1-ethenyl-4-methyl-2-[(Z)-prop-1-enyl]benzene;methane
CID 143188972
1-[4-methyl-2-[(Z)-prop-1-enyl]phenyl]ethanethione
CID 144945000
5-(4-methyl-2-prop-1-enylphenyl)-1H-pyrazole
CID 174386945
4-[(E)-2-[5-methyl-2-[(E)-prop-1-enyl]phenyl]ethenyl]pyridine
CID 167189739
2-(4-aminobut-1-enyl)-4-methylbenzonitrile
CID 170486986
6-methyl-3-[(E)-prop-1-enyl]chromen-2-one
CID 135210411
4-tert-butyl-2-methyl-1-prop-1-ynylbenzene
CID 173394567
1,4-dimethyl-2,5-bis[(Z)-prop-1-enyl]benzene;ethane
CID 142173958

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(Z)-prop-1-enyl]-1-prop-1-ynylbenzene?
The IUPAC name of 4-methyl-2-[(Z)-prop-1-enyl]-1-prop-1-ynylbenzene (CID 176574438) is 4-methyl-2-[(Z)-prop-1-enyl]-1-prop-1-ynylbenzene.
What is the SMILES notation for 4-methyl-2-[(Z)-prop-1-enyl]-1-prop-1-ynylbenzene?
The canonical SMILES for 4-methyl-2-[(Z)-prop-1-enyl]-1-prop-1-ynylbenzene is CC#Cc1ccc(C)cc1/C=C\C.
What is the InChIKey of 4-methyl-2-[(Z)-prop-1-enyl]-1-prop-1-ynylbenzene?
The InChIKey is ZKBHFYKFBVWFHD-ALCCZGGFSA-N. The full InChI is InChI=1S/C13H14/c1-4-6-12-9-8-11(3)10-13(12)7-5-2/h5,7-10H,1-3H3/b7-5-.
What are the key properties of 4-methyl-2-[(Z)-prop-1-enyl]-1-prop-1-ynylbenzene?
4-methyl-2-[(Z)-prop-1-enyl]-1-prop-1-ynylbenzene has a molecular weight of 170.25 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(Z)-prop-1-enyl]-1-prop-1-ynylbenzene is sourced from PubChem (CID 176574438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).