7-pentylidenetridecane

C18H36 — CID 71444589

IUPAC7-pentylidenetridecane
SMILESCCCCC=C(CCCCCC)CCCCCC
InChIInChI=1S/C18H36/c1-4-7-10-13-16-18(15-12-9-6-3)17-14-11-8-5-2/h15H,4-14,16-17H2,1-3H3
InChIKeyZOAQPZPVKINTDC-UHFFFAOYSA-N
MW252.49 g/mol
LogP7.04
Rot. Bonds13

About 7-pentylidenetridecane

7-pentylidenetridecane (PubChem CID 71444589) has the molecular formula C18H36 and a molecular weight of 252.49 g/mol. Its IUPAC name is 7-pentylidenetridecane.

Molecular Properties

Compound Name7-pentylidenetridecane
PubChem CID71444589
Molecular FormulaC18H36
Molecular Weight252.49 g/mol
Exact Mass252.28
IUPAC Name7-pentylidenetridecane
SMILESCCCCC=C(CCCCCC)CCCCCC
InChIInChI=1S/C18H36/c1-4-7-10-13-16-18(15-12-9-6-3)17-14-11-8-5-2/h15H,4-14,16-17H2,1-3H3
InChIKeyZOAQPZPVKINTDC-UHFFFAOYSA-N
XLogP7.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.49
LogP ≤ 57.04
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 7-pentylidenetridecane?
The IUPAC name of 7-pentylidenetridecane (CID 71444589) is 7-pentylidenetridecane.
What is the SMILES notation for 7-pentylidenetridecane?
The canonical SMILES for 7-pentylidenetridecane is CCCCC=C(CCCCCC)CCCCCC.
What is the InChIKey of 7-pentylidenetridecane?
The InChIKey is ZOAQPZPVKINTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36/c1-4-7-10-13-16-18(15-12-9-6-3)17-14-11-8-5-2/h15H,4-14,16-17H2,1-3H3.
What are the key properties of 7-pentylidenetridecane?
7-pentylidenetridecane has a molecular weight of 252.49 g/mol, XLogP of 7.04, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pentylidenetridecane is sourced from PubChem (CID 71444589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).