1-(3,4-dimethylpent-1-en-3-yl)-4-ethenylbenzene

C15H20 — CID 144582721

IUPAC1-(3,4-dimethylpent-1-en-3-yl)-4-ethenylbenzene
SMILESC=Cc1ccc(C(C)(C=C)C(C)C)cc1
InChIInChI=1S/C15H20/c1-6-13-8-10-14(11-9-13)15(5,7-2)12(3)4/h6-12H,1-2H2,3-5H3
InChIKeyGLRXVZXWULVMIT-UHFFFAOYSA-N
MW200.32 g/mol
LogP4.43
Rot. Bonds4

About 1-(3,4-dimethylpent-1-en-3-yl)-4-ethenylbenzene

1-(3,4-dimethylpent-1-en-3-yl)-4-ethenylbenzene (PubChem CID 144582721) has the molecular formula C15H20 and a molecular weight of 200.32 g/mol. Its IUPAC name is 1-(3,4-dimethylpent-1-en-3-yl)-4-ethenylbenzene.

Molecular Properties

Compound Name1-(3,4-dimethylpent-1-en-3-yl)-4-ethenylbenzene
PubChem CID144582721
Molecular FormulaC15H20
Molecular Weight200.32 g/mol
Exact Mass200.16
IUPAC Name1-(3,4-dimethylpent-1-en-3-yl)-4-ethenylbenzene
SMILESC=Cc1ccc(C(C)(C=C)C(C)C)cc1
InChIInChI=1S/C15H20/c1-6-13-8-10-14(11-9-13)15(5,7-2)12(3)4/h6-12H,1-2H2,3-5H3
InChIKeyGLRXVZXWULVMIT-UHFFFAOYSA-N
XLogP4.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylpent-1-en-3-yl)-4-ethenylbenzene?
The IUPAC name of 1-(3,4-dimethylpent-1-en-3-yl)-4-ethenylbenzene (CID 144582721) is 1-(3,4-dimethylpent-1-en-3-yl)-4-ethenylbenzene.
What is the SMILES notation for 1-(3,4-dimethylpent-1-en-3-yl)-4-ethenylbenzene?
The canonical SMILES for 1-(3,4-dimethylpent-1-en-3-yl)-4-ethenylbenzene is C=Cc1ccc(C(C)(C=C)C(C)C)cc1.
What is the InChIKey of 1-(3,4-dimethylpent-1-en-3-yl)-4-ethenylbenzene?
The InChIKey is GLRXVZXWULVMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20/c1-6-13-8-10-14(11-9-13)15(5,7-2)12(3)4/h6-12H,1-2H2,3-5H3.
What are the key properties of 1-(3,4-dimethylpent-1-en-3-yl)-4-ethenylbenzene?
1-(3,4-dimethylpent-1-en-3-yl)-4-ethenylbenzene has a molecular weight of 200.32 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylpent-1-en-3-yl)-4-ethenylbenzene is sourced from PubChem (CID 144582721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).