2-[(Z)-but-2-en-2-yl]-4-methyl-1-propylbenzene

C₁₄H₂₀ — CID 177145999

About 2-[(Z)-but-2-en-2-yl]-4-methyl-1-propylbenzene

2-[(Z)-but-2-en-2-yl]-4-methyl-1-propylbenzene (PubChem CID 177145999) has the molecular formula C₁₄H₂₀ and a molecular weight of 188.31 g/mol. Its IUPAC name is 2-[(Z)-but-2-en-2-yl]-4-methyl-1-propylbenzene.

Molecular Properties

• Compound Name: 2-[(Z)-but-2-en-2-yl]-4-methyl-1-propylbenzene
• PubChem CID: 177145999
• Molecular Formula: C₁₄H₂₀
• Molecular Weight: 188.31 g/mol
• Exact Mass: 188.16
• IUPAC Name: 2-[(Z)-but-2-en-2-yl]-4-methyl-1-propylbenzene
• SMILES: C/C=C(/C)c1cc(C)ccc1CCC
• InChI: InChI=1S/C14H20/c1-5-7-13-9-8-11(3)10-14(13)12(4)6-2/h6,8-10H,5,7H2,1-4H3/b12-6-
• InChIKey: KCFWFGKSLYXAJM-SDQBBNPISA-N
• XLogP: 4.37
• TPSA: 0.00 Ų
• Rotatable Bonds: 3
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	188.31
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-but-2-en-2-yl]-4-methyl-1-propylbenzene?

The IUPAC name of 2-[(Z)-but-2-en-2-yl]-4-methyl-1-propylbenzene (CID 177145999) is 2-[(Z)-but-2-en-2-yl]-4-methyl-1-propylbenzene.

What is the SMILES notation for 2-[(Z)-but-2-en-2-yl]-4-methyl-1-propylbenzene?

The canonical SMILES for 2-[(Z)-but-2-en-2-yl]-4-methyl-1-propylbenzene is C/C=C(/C)c1cc(C)ccc1CCC.

What is the InChIKey of 2-[(Z)-but-2-en-2-yl]-4-methyl-1-propylbenzene?

The InChIKey is KCFWFGKSLYXAJM-SDQBBNPISA-N. The full InChI is InChI=1S/C14H20/c1-5-7-13-9-8-11(3)10-14(13)12(4)6-2/h6,8-10H,5,7H2,1-4H3/b12-6-.

What are the key properties of 2-[(Z)-but-2-en-2-yl]-4-methyl-1-propylbenzene?

2-[(Z)-but-2-en-2-yl]-4-methyl-1-propylbenzene has a molecular weight of 188.31 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(Z)-but-2-en-2-yl]-4-methyl-1-propylbenzene is sourced from PubChem (CID 177145999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 177145999 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.