(3E)-penta-1,3-diene

C10H16 — CID 71777643

IUPAC(3E)-penta-1,3-diene
SMILESC=C/C=C/C.C=C/C=C/C
InChIInChI=1S/2C5H8/c2*1-3-5-4-2/h2*3-5H,1H2,2H3/b2*5-4+
InChIKeyUCMSRHPIFRZHDO-FLYFVYFHSA-N
MW136.24 g/mol
LogP3.50
Rot. Bonds2

About (3E)-penta-1,3-diene

(3E)-penta-1,3-diene (PubChem CID 71777643) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is (3E)-penta-1,3-diene.

Molecular Properties

Compound Name(3E)-penta-1,3-diene
PubChem CID71777643
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name(3E)-penta-1,3-diene
SMILESC=C/C=C/C.C=C/C=C/C
InChIInChI=1S/2C5H8/c2*1-3-5-4-2/h2*3-5H,1H2,2H3/b2*5-4+
InChIKeyUCMSRHPIFRZHDO-FLYFVYFHSA-N
XLogP3.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-penta-1,3-diene?
The IUPAC name of (3E)-penta-1,3-diene (CID 71777643) is (3E)-penta-1,3-diene.
What is the SMILES notation for (3E)-penta-1,3-diene?
The canonical SMILES for (3E)-penta-1,3-diene is C=C/C=C/C.C=C/C=C/C.
What is the InChIKey of (3E)-penta-1,3-diene?
The InChIKey is UCMSRHPIFRZHDO-FLYFVYFHSA-N. The full InChI is InChI=1S/2C5H8/c2*1-3-5-4-2/h2*3-5H,1H2,2H3/b2*5-4+.
What are the key properties of (3E)-penta-1,3-diene?
(3E)-penta-1,3-diene has a molecular weight of 136.24 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-penta-1,3-diene is sourced from PubChem (CID 71777643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).