octa-1,7-dien-3-ylcyclopentane

C13H22 — CID 22079093

IUPACocta-1,7-dien-3-ylcyclopentane
SMILESC=CCCCC(C=C)C1CCCC1
InChIInChI=1S/C13H22/c1-3-5-6-9-12(4-2)13-10-7-8-11-13/h3-4,12-13H,1-2,5-11H2
InChIKeyVWSLXBZQGGJCKR-UHFFFAOYSA-N
MW178.32 g/mol
LogP4.34
Rot. Bonds6

About octa-1,7-dien-3-ylcyclopentane

octa-1,7-dien-3-ylcyclopentane (PubChem CID 22079093) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is octa-1,7-dien-3-ylcyclopentane.

Molecular Properties

Compound Nameocta-1,7-dien-3-ylcyclopentane
PubChem CID22079093
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Nameocta-1,7-dien-3-ylcyclopentane
SMILESC=CCCCC(C=C)C1CCCC1
InChIInChI=1S/C13H22/c1-3-5-6-9-12(4-2)13-10-7-8-11-13/h3-4,12-13H,1-2,5-11H2
InChIKeyVWSLXBZQGGJCKR-UHFFFAOYSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of octa-1,7-dien-3-ylcyclopentane?
The IUPAC name of octa-1,7-dien-3-ylcyclopentane (CID 22079093) is octa-1,7-dien-3-ylcyclopentane.
What is the SMILES notation for octa-1,7-dien-3-ylcyclopentane?
The canonical SMILES for octa-1,7-dien-3-ylcyclopentane is C=CCCCC(C=C)C1CCCC1.
What is the InChIKey of octa-1,7-dien-3-ylcyclopentane?
The InChIKey is VWSLXBZQGGJCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22/c1-3-5-6-9-12(4-2)13-10-7-8-11-13/h3-4,12-13H,1-2,5-11H2.
What are the key properties of octa-1,7-dien-3-ylcyclopentane?
octa-1,7-dien-3-ylcyclopentane has a molecular weight of 178.32 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for octa-1,7-dien-3-ylcyclopentane is sourced from PubChem (CID 22079093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).