1,2-dipropylcyclohepta-1,3-diene

C13H22 — CID 175557137

IUPAC1,2-dipropylcyclohepta-1,3-diene
SMILESCCCC1=C(CCC)CCCC=C1
InChIInChI=1S/C13H22/c1-3-8-12-10-6-5-7-11-13(12)9-4-2/h6,10H,3-5,7-9,11H2,1-2H3
InChIKeyHUAXTBYDLFPSFT-UHFFFAOYSA-N
MW178.32 g/mol
LogP4.62
Rot. Bonds4

About 1,2-dipropylcyclohepta-1,3-diene

1,2-dipropylcyclohepta-1,3-diene (PubChem CID 175557137) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is 1,2-dipropylcyclohepta-1,3-diene.

Molecular Properties

Compound Name1,2-dipropylcyclohepta-1,3-diene
PubChem CID175557137
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name1,2-dipropylcyclohepta-1,3-diene
SMILESCCCC1=C(CCC)CCCC=C1
InChIInChI=1S/C13H22/c1-3-8-12-10-6-5-7-11-13(12)9-4-2/h6,10H,3-5,7-9,11H2,1-2H3
InChIKeyHUAXTBYDLFPSFT-UHFFFAOYSA-N
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-dipropylcyclohepta-1,3-diene?
The IUPAC name of 1,2-dipropylcyclohepta-1,3-diene (CID 175557137) is 1,2-dipropylcyclohepta-1,3-diene.
What is the SMILES notation for 1,2-dipropylcyclohepta-1,3-diene?
The canonical SMILES for 1,2-dipropylcyclohepta-1,3-diene is CCCC1=C(CCC)CCCC=C1.
What is the InChIKey of 1,2-dipropylcyclohepta-1,3-diene?
The InChIKey is HUAXTBYDLFPSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22/c1-3-8-12-10-6-5-7-11-13(12)9-4-2/h6,10H,3-5,7-9,11H2,1-2H3.
What are the key properties of 1,2-dipropylcyclohepta-1,3-diene?
1,2-dipropylcyclohepta-1,3-diene has a molecular weight of 178.32 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dipropylcyclohepta-1,3-diene is sourced from PubChem (CID 175557137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).