3-ethyl-2-propylcyclohepta-1,3,5-triene

C12H18 — CID 143180914

IUPAC3-ethyl-2-propylcyclohepta-1,3,5-triene
SMILESCCCC1=CCC=CC=C1CC
InChIInChI=1S/C12H18/c1-3-8-12-10-7-5-6-9-11(12)4-2/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyIBBQLMKVGONQTE-UHFFFAOYSA-N
MW162.28 g/mol
LogP4.01
Rot. Bonds3

About 3-ethyl-2-propylcyclohepta-1,3,5-triene

3-ethyl-2-propylcyclohepta-1,3,5-triene (PubChem CID 143180914) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 3-ethyl-2-propylcyclohepta-1,3,5-triene.

Molecular Properties

Compound Name3-ethyl-2-propylcyclohepta-1,3,5-triene
PubChem CID143180914
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name3-ethyl-2-propylcyclohepta-1,3,5-triene
SMILESCCCC1=CCC=CC=C1CC
InChIInChI=1S/C12H18/c1-3-8-12-10-7-5-6-9-11(12)4-2/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyIBBQLMKVGONQTE-UHFFFAOYSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-propylcyclohepta-1,3,5-triene?
The IUPAC name of 3-ethyl-2-propylcyclohepta-1,3,5-triene (CID 143180914) is 3-ethyl-2-propylcyclohepta-1,3,5-triene.
What is the SMILES notation for 3-ethyl-2-propylcyclohepta-1,3,5-triene?
The canonical SMILES for 3-ethyl-2-propylcyclohepta-1,3,5-triene is CCCC1=CCC=CC=C1CC.
What is the InChIKey of 3-ethyl-2-propylcyclohepta-1,3,5-triene?
The InChIKey is IBBQLMKVGONQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-3-8-12-10-7-5-6-9-11(12)4-2/h5-6,9-10H,3-4,7-8H2,1-2H3.
What are the key properties of 3-ethyl-2-propylcyclohepta-1,3,5-triene?
3-ethyl-2-propylcyclohepta-1,3,5-triene has a molecular weight of 162.28 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-propylcyclohepta-1,3,5-triene is sourced from PubChem (CID 143180914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).