1-ethyl-2-[(E)-prop-1-enyl]benzene;prop-1-yne

C14H18 — CID 142194748

IUPAC1-ethyl-2-[(E)-prop-1-enyl]benzene;prop-1-yne
SMILESC#CC.C/C=C/c1ccccc1CC
InChIInChI=1S/C11H14.C3H4/c1-3-7-11-9-6-5-8-10(11)4-2;1-3-2/h3,5-9H,4H2,1-2H3;1H,2H3/b7-3+;
InChIKeyHIYAXRGLFRTQIJ-CDQVLDCRSA-N
MW186.30 g/mol
LogP3.92
Rot. Bonds2

About 1-ethyl-2-[(E)-prop-1-enyl]benzene;prop-1-yne

1-ethyl-2-[(E)-prop-1-enyl]benzene;prop-1-yne (PubChem CID 142194748) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is 1-ethyl-2-[(E)-prop-1-enyl]benzene;prop-1-yne.

Molecular Properties

Compound Name1-ethyl-2-[(E)-prop-1-enyl]benzene;prop-1-yne
PubChem CID142194748
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Name1-ethyl-2-[(E)-prop-1-enyl]benzene;prop-1-yne
SMILESC#CC.C/C=C/c1ccccc1CC
InChIInChI=1S/C11H14.C3H4/c1-3-7-11-9-6-5-8-10(11)4-2;1-3-2/h3,5-9H,4H2,1-2H3;1H,2H3/b7-3+;
InChIKeyHIYAXRGLFRTQIJ-CDQVLDCRSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-2-[(E)-2-(2-ethylphenyl)ethenyl]benzene
CID 173096037
1-ethyl-2-(2-prop-1-enylphenyl)benzene
CID 91183008
ethane;1-prop-1-enyl-10-propylcyclodeca-1,3,5,7,9-pentaene
CID 143566637
3-(2-ethylphenyl)prop-2-enenitrile
CID 76943440
1-ethyl-2-[(Z)-2-phenylethenyl]benzene
CID 142017215
1-(2-ethylphenyl)-2-methyl-3-[(Z)-prop-1-enyl]benzene
CID 173216176
1,4-bis[(E)-2-(2-ethylphenyl)ethenyl]-2,3,5,6-tetramethylbenzene
CID 102216000
2,3,5,6-tetrakis[2-(2-ethylphenyl)ethenyl]pyrazine
CID 54435957
(E)-3-(2-ethylphenyl)prop-2-enoic acid
CID 6198622
N-[[2-[(Z)-prop-1-enyl]phenyl]methyl]propan-1-amine
CID 143541602
1-chloro-2-[(E)-prop-1-enyl]benzene;ethane
CID 144702462
4-(2-ethylphenyl)but-3-en-1-ol
CID 170476106

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(E)-prop-1-enyl]benzene;prop-1-yne?
The IUPAC name of 1-ethyl-2-[(E)-prop-1-enyl]benzene;prop-1-yne (CID 142194748) is 1-ethyl-2-[(E)-prop-1-enyl]benzene;prop-1-yne.
What is the SMILES notation for 1-ethyl-2-[(E)-prop-1-enyl]benzene;prop-1-yne?
The canonical SMILES for 1-ethyl-2-[(E)-prop-1-enyl]benzene;prop-1-yne is C#CC.C/C=C/c1ccccc1CC.
What is the InChIKey of 1-ethyl-2-[(E)-prop-1-enyl]benzene;prop-1-yne?
The InChIKey is HIYAXRGLFRTQIJ-CDQVLDCRSA-N. The full InChI is InChI=1S/C11H14.C3H4/c1-3-7-11-9-6-5-8-10(11)4-2;1-3-2/h3,5-9H,4H2,1-2H3;1H,2H3/b7-3+;.
What are the key properties of 1-ethyl-2-[(E)-prop-1-enyl]benzene;prop-1-yne?
1-ethyl-2-[(E)-prop-1-enyl]benzene;prop-1-yne has a molecular weight of 186.30 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(E)-prop-1-enyl]benzene;prop-1-yne is sourced from PubChem (CID 142194748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).