7-ethylidenetridecane

C15H30 — CID 13258733

IUPAC7-ethylidenetridecane
SMILESCC=C(CCCCCC)CCCCCC
InChIInChI=1S/C15H30/c1-4-7-9-11-13-15(6-3)14-12-10-8-5-2/h6H,4-5,7-14H2,1-3H3
InChIKeyIFDOUXGADWEMPU-UHFFFAOYSA-N
MW210.40 g/mol
LogP5.87
Rot. Bonds10

About 7-ethylidenetridecane

7-ethylidenetridecane (PubChem CID 13258733) has the molecular formula C15H30 and a molecular weight of 210.40 g/mol. Its IUPAC name is 7-ethylidenetridecane.

Molecular Properties

Compound Name7-ethylidenetridecane
PubChem CID13258733
Molecular FormulaC15H30
Molecular Weight210.40 g/mol
Exact Mass210.23
IUPAC Name7-ethylidenetridecane
SMILESCC=C(CCCCCC)CCCCCC
InChIInChI=1S/C15H30/c1-4-7-9-11-13-15(6-3)14-12-10-8-5-2/h6H,4-5,7-14H2,1-3H3
InChIKeyIFDOUXGADWEMPU-UHFFFAOYSA-N
XLogP5.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.40
LogP ≤ 55.87
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-ethylidenetridecane?
The IUPAC name of 7-ethylidenetridecane (CID 13258733) is 7-ethylidenetridecane.
What is the SMILES notation for 7-ethylidenetridecane?
The canonical SMILES for 7-ethylidenetridecane is CC=C(CCCCCC)CCCCCC.
What is the InChIKey of 7-ethylidenetridecane?
The InChIKey is IFDOUXGADWEMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30/c1-4-7-9-11-13-15(6-3)14-12-10-8-5-2/h6H,4-5,7-14H2,1-3H3.
What are the key properties of 7-ethylidenetridecane?
7-ethylidenetridecane has a molecular weight of 210.40 g/mol, XLogP of 5.87, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethylidenetridecane is sourced from PubChem (CID 13258733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).