2,5-dicyclopropylcyclohepta-1,3,5-triene

C13H16 — CID 134897785

IUPAC2,5-dicyclopropylcyclohepta-1,3,5-triene
SMILESC1=CC(C2CC2)=CCC=C1C1CC1
InChIInChI=1S/C13H16/c1-2-10(12-6-7-12)4-5-11(3-1)13-8-9-13/h2-5,12-13H,1,6-9H2
InChIKeyLTIPSJMCOIEPPQ-UHFFFAOYSA-N
MW172.27 g/mol
LogP3.62
Rot. Bonds2

About 2,5-dicyclopropylcyclohepta-1,3,5-triene

2,5-dicyclopropylcyclohepta-1,3,5-triene (PubChem CID 134897785) has the molecular formula C13H16 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2,5-dicyclopropylcyclohepta-1,3,5-triene.

Molecular Properties

Compound Name2,5-dicyclopropylcyclohepta-1,3,5-triene
PubChem CID134897785
Molecular FormulaC13H16
Molecular Weight172.27 g/mol
Exact Mass172.13
IUPAC Name2,5-dicyclopropylcyclohepta-1,3,5-triene
SMILESC1=CC(C2CC2)=CCC=C1C1CC1
InChIInChI=1S/C13H16/c1-2-10(12-6-7-12)4-5-11(3-1)13-8-9-13/h2-5,12-13H,1,6-9H2
InChIKeyLTIPSJMCOIEPPQ-UHFFFAOYSA-N
XLogP3.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,5-dicyclopropylcyclohepta-1,3,5-triene?
The IUPAC name of 2,5-dicyclopropylcyclohepta-1,3,5-triene (CID 134897785) is 2,5-dicyclopropylcyclohepta-1,3,5-triene.
What is the SMILES notation for 2,5-dicyclopropylcyclohepta-1,3,5-triene?
The canonical SMILES for 2,5-dicyclopropylcyclohepta-1,3,5-triene is C1=CC(C2CC2)=CCC=C1C1CC1.
What is the InChIKey of 2,5-dicyclopropylcyclohepta-1,3,5-triene?
The InChIKey is LTIPSJMCOIEPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16/c1-2-10(12-6-7-12)4-5-11(3-1)13-8-9-13/h2-5,12-13H,1,6-9H2.
What are the key properties of 2,5-dicyclopropylcyclohepta-1,3,5-triene?
2,5-dicyclopropylcyclohepta-1,3,5-triene has a molecular weight of 172.27 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dicyclopropylcyclohepta-1,3,5-triene is sourced from PubChem (CID 134897785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).