1-(2-ethylbut-1-enyl)-2-prop-1-ynylbenzene

C15H18 — CID 135084151

IUPAC1-(2-ethylbut-1-enyl)-2-prop-1-ynylbenzene
SMILESCC#Cc1ccccc1C=C(CC)CC
InChIInChI=1S/C15H18/c1-4-9-14-10-7-8-11-15(14)12-13(5-2)6-3/h7-8,10-12H,5-6H2,1-3H3
InChIKeyCTZSGOGCWNQYFU-UHFFFAOYSA-N
MW198.31 g/mol
LogP4.26
Rot. Bonds3

About 1-(2-ethylbut-1-enyl)-2-prop-1-ynylbenzene

1-(2-ethylbut-1-enyl)-2-prop-1-ynylbenzene (PubChem CID 135084151) has the molecular formula C15H18 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-(2-ethylbut-1-enyl)-2-prop-1-ynylbenzene.

Molecular Properties

Compound Name1-(2-ethylbut-1-enyl)-2-prop-1-ynylbenzene
PubChem CID135084151
Molecular FormulaC15H18
Molecular Weight198.31 g/mol
Exact Mass198.14
IUPAC Name1-(2-ethylbut-1-enyl)-2-prop-1-ynylbenzene
SMILESCC#Cc1ccccc1C=C(CC)CC
InChIInChI=1S/C15H18/c1-4-9-14-10-7-8-11-15(14)12-13(5-2)6-3/h7-8,10-12H,5-6H2,1-3H3
InChIKeyCTZSGOGCWNQYFU-UHFFFAOYSA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylbut-1-enyl)-2-prop-1-ynylbenzene?
The IUPAC name of 1-(2-ethylbut-1-enyl)-2-prop-1-ynylbenzene (CID 135084151) is 1-(2-ethylbut-1-enyl)-2-prop-1-ynylbenzene.
What is the SMILES notation for 1-(2-ethylbut-1-enyl)-2-prop-1-ynylbenzene?
The canonical SMILES for 1-(2-ethylbut-1-enyl)-2-prop-1-ynylbenzene is CC#Cc1ccccc1C=C(CC)CC.
What is the InChIKey of 1-(2-ethylbut-1-enyl)-2-prop-1-ynylbenzene?
The InChIKey is CTZSGOGCWNQYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18/c1-4-9-14-10-7-8-11-15(14)12-13(5-2)6-3/h7-8,10-12H,5-6H2,1-3H3.
What are the key properties of 1-(2-ethylbut-1-enyl)-2-prop-1-ynylbenzene?
1-(2-ethylbut-1-enyl)-2-prop-1-ynylbenzene has a molecular weight of 198.31 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylbut-1-enyl)-2-prop-1-ynylbenzene is sourced from PubChem (CID 135084151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).