1-(2-methylpropyl)-4-prop-1-en-2-ylbenzene

C13H18 — CID 10176333

IUPAC1-(2-methylpropyl)-4-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C13H18/c1-10(2)9-12-5-7-13(8-6-12)11(3)4/h5-8,10H,3,9H2,1-2,4H3
InChIKeyMXWQCJIFJKBTOT-UHFFFAOYSA-N
MW174.29 g/mol
LogP3.92
Rot. Bonds3

About 1-(2-methylpropyl)-4-prop-1-en-2-ylbenzene

1-(2-methylpropyl)-4-prop-1-en-2-ylbenzene (PubChem CID 10176333) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is 1-(2-methylpropyl)-4-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name1-(2-methylpropyl)-4-prop-1-en-2-ylbenzene
PubChem CID10176333
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name1-(2-methylpropyl)-4-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C13H18/c1-10(2)9-12-5-7-13(8-6-12)11(3)4/h5-8,10H,3,9H2,1-2,4H3
InChIKeyMXWQCJIFJKBTOT-UHFFFAOYSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-4-prop-1-en-2-ylbenzene?
The IUPAC name of 1-(2-methylpropyl)-4-prop-1-en-2-ylbenzene (CID 10176333) is 1-(2-methylpropyl)-4-prop-1-en-2-ylbenzene.
What is the SMILES notation for 1-(2-methylpropyl)-4-prop-1-en-2-ylbenzene?
The canonical SMILES for 1-(2-methylpropyl)-4-prop-1-en-2-ylbenzene is C=C(C)c1ccc(CC(C)C)cc1.
What is the InChIKey of 1-(2-methylpropyl)-4-prop-1-en-2-ylbenzene?
The InChIKey is MXWQCJIFJKBTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18/c1-10(2)9-12-5-7-13(8-6-12)11(3)4/h5-8,10H,3,9H2,1-2,4H3.
What are the key properties of 1-(2-methylpropyl)-4-prop-1-en-2-ylbenzene?
1-(2-methylpropyl)-4-prop-1-en-2-ylbenzene has a molecular weight of 174.29 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-4-prop-1-en-2-ylbenzene is sourced from PubChem (CID 10176333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).