1-propan-2-yl-4-prop-1-en-2-ylbenzene

C12H16 — CID 16952

IUPAC1-propan-2-yl-4-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccc(C(C)C)cc1
InChIInChI=1S/C12H16/c1-9(2)11-5-7-12(8-6-11)10(3)4/h5-8,10H,1H2,2-4H3
InChIKeyXMCNZCCURGYSDQ-UHFFFAOYSA-N
MW160.26 g/mol
LogP3.84
Rot. Bonds2

About 1-propan-2-yl-4-prop-1-en-2-ylbenzene

1-propan-2-yl-4-prop-1-en-2-ylbenzene (PubChem CID 16952) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is 1-propan-2-yl-4-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name1-propan-2-yl-4-prop-1-en-2-ylbenzene
PubChem CID16952
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Name1-propan-2-yl-4-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccc(C(C)C)cc1
InChIInChI=1S/C12H16/c1-9(2)11-5-7-12(8-6-11)10(3)4/h5-8,10H,1H2,2-4H3
InChIKeyXMCNZCCURGYSDQ-UHFFFAOYSA-N
XLogP3.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-prop-1-en-2-ylbenzene?
The IUPAC name of 1-propan-2-yl-4-prop-1-en-2-ylbenzene (CID 16952) is 1-propan-2-yl-4-prop-1-en-2-ylbenzene.
What is the SMILES notation for 1-propan-2-yl-4-prop-1-en-2-ylbenzene?
The canonical SMILES for 1-propan-2-yl-4-prop-1-en-2-ylbenzene is C=C(C)c1ccc(C(C)C)cc1.
What is the InChIKey of 1-propan-2-yl-4-prop-1-en-2-ylbenzene?
The InChIKey is XMCNZCCURGYSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16/c1-9(2)11-5-7-12(8-6-11)10(3)4/h5-8,10H,1H2,2-4H3.
What are the key properties of 1-propan-2-yl-4-prop-1-en-2-ylbenzene?
1-propan-2-yl-4-prop-1-en-2-ylbenzene has a molecular weight of 160.26 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-prop-1-en-2-ylbenzene is sourced from PubChem (CID 16952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).