(4E)-4-propylocta-1,4-diene

C11H20 — CID 5358330

IUPAC(4E)-4-propylocta-1,4-diene
SMILESC=CC/C(=C/CCC)CCC
InChIInChI=1S/C11H20/c1-4-7-10-11(8-5-2)9-6-3/h5,10H,2,4,6-9H2,1,3H3/b11-10-
InChIKeyHEOASUVCRLYIPS-KHPPLWFESA-N
MW152.28 g/mol
LogP4.09
Rot. Bonds6

About (4E)-4-propylocta-1,4-diene

(4E)-4-propylocta-1,4-diene (PubChem CID 5358330) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is (4E)-4-propylocta-1,4-diene.

Molecular Properties

Compound Name(4E)-4-propylocta-1,4-diene
PubChem CID5358330
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name(4E)-4-propylocta-1,4-diene
SMILESC=CC/C(=C/CCC)CCC
InChIInChI=1S/C11H20/c1-4-7-10-11(8-5-2)9-6-3/h5,10H,2,4,6-9H2,1,3H3/b11-10-
InChIKeyHEOASUVCRLYIPS-KHPPLWFESA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E)-4-propylocta-1,4-diene?
The IUPAC name of (4E)-4-propylocta-1,4-diene (CID 5358330) is (4E)-4-propylocta-1,4-diene.
What is the SMILES notation for (4E)-4-propylocta-1,4-diene?
The canonical SMILES for (4E)-4-propylocta-1,4-diene is C=CC/C(=C/CCC)CCC.
What is the InChIKey of (4E)-4-propylocta-1,4-diene?
The InChIKey is HEOASUVCRLYIPS-KHPPLWFESA-N. The full InChI is InChI=1S/C11H20/c1-4-7-10-11(8-5-2)9-6-3/h5,10H,2,4,6-9H2,1,3H3/b11-10-.
What are the key properties of (4E)-4-propylocta-1,4-diene?
(4E)-4-propylocta-1,4-diene has a molecular weight of 152.28 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-propylocta-1,4-diene is sourced from PubChem (CID 5358330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).