1-(2-prop-2-enylcyclopropyl)ethylbenzene

C14H18 — CID 123313566

IUPAC1-(2-prop-2-enylcyclopropyl)ethylbenzene
SMILESC=CCC1CC1C(C)c1ccccc1
InChIInChI=1S/C14H18/c1-3-7-13-10-14(13)11(2)12-8-5-4-6-9-12/h3-6,8-9,11,13-14H,1,7,10H2,2H3
InChIKeyZMKNUDSDCJCFBG-UHFFFAOYSA-N
MW186.30 g/mol
LogP4.00
Rot. Bonds4

About 1-(2-prop-2-enylcyclopropyl)ethylbenzene

1-(2-prop-2-enylcyclopropyl)ethylbenzene (PubChem CID 123313566) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is 1-(2-prop-2-enylcyclopropyl)ethylbenzene.

Molecular Properties

Compound Name1-(2-prop-2-enylcyclopropyl)ethylbenzene
PubChem CID123313566
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Name1-(2-prop-2-enylcyclopropyl)ethylbenzene
SMILESC=CCC1CC1C(C)c1ccccc1
InChIInChI=1S/C14H18/c1-3-7-13-10-14(13)11(2)12-8-5-4-6-9-12/h3-6,8-9,11,13-14H,1,7,10H2,2H3
InChIKeyZMKNUDSDCJCFBG-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 54.00
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-(2-prop-2-enylcyclopropyl)ethylbenzene?
The IUPAC name of 1-(2-prop-2-enylcyclopropyl)ethylbenzene (CID 123313566) is 1-(2-prop-2-enylcyclopropyl)ethylbenzene.
What is the SMILES notation for 1-(2-prop-2-enylcyclopropyl)ethylbenzene?
The canonical SMILES for 1-(2-prop-2-enylcyclopropyl)ethylbenzene is C=CCC1CC1C(C)c1ccccc1.
What is the InChIKey of 1-(2-prop-2-enylcyclopropyl)ethylbenzene?
The InChIKey is ZMKNUDSDCJCFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18/c1-3-7-13-10-14(13)11(2)12-8-5-4-6-9-12/h3-6,8-9,11,13-14H,1,7,10H2,2H3.
What are the key properties of 1-(2-prop-2-enylcyclopropyl)ethylbenzene?
1-(2-prop-2-enylcyclopropyl)ethylbenzene has a molecular weight of 186.30 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-prop-2-enylcyclopropyl)ethylbenzene is sourced from PubChem (CID 123313566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).