(3E)-3-buta-1,3-dien-2-yloxypenta-1,3-diene

C9H12O — CID 88534344

IUPAC(3E)-3-buta-1,3-dien-2-yloxypenta-1,3-diene
SMILESC=CC(=C)O/C(C=C)=C/C
InChIInChI=1S/C9H12O/c1-5-8(4)10-9(6-2)7-3/h5-7H,1-2,4H2,3H3/b9-7+
InChIKeySSSBLMDIMCHFGA-VQHVLOKHSA-N
MW136.19 g/mol
LogP2.79
Rot. Bonds4

About (3E)-3-buta-1,3-dien-2-yloxypenta-1,3-diene

(3E)-3-buta-1,3-dien-2-yloxypenta-1,3-diene (PubChem CID 88534344) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is (3E)-3-buta-1,3-dien-2-yloxypenta-1,3-diene.

Molecular Properties

Compound Name(3E)-3-buta-1,3-dien-2-yloxypenta-1,3-diene
PubChem CID88534344
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name(3E)-3-buta-1,3-dien-2-yloxypenta-1,3-diene
SMILESC=CC(=C)O/C(C=C)=C/C
InChIInChI=1S/C9H12O/c1-5-8(4)10-9(6-2)7-3/h5-7H,1-2,4H2,3H3/b9-7+
InChIKeySSSBLMDIMCHFGA-VQHVLOKHSA-N
XLogP2.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3E)-3-buta-1,3-dien-2-yloxypenta-1,3-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3E)-3-buta-1,3-dien-2-yloxypenta-1,3-diene?
The IUPAC name of (3E)-3-buta-1,3-dien-2-yloxypenta-1,3-diene (CID 88534344) is (3E)-3-buta-1,3-dien-2-yloxypenta-1,3-diene.
What is the SMILES notation for (3E)-3-buta-1,3-dien-2-yloxypenta-1,3-diene?
The canonical SMILES for (3E)-3-buta-1,3-dien-2-yloxypenta-1,3-diene is C=CC(=C)O/C(C=C)=C/C.
What is the InChIKey of (3E)-3-buta-1,3-dien-2-yloxypenta-1,3-diene?
The InChIKey is SSSBLMDIMCHFGA-VQHVLOKHSA-N. The full InChI is InChI=1S/C9H12O/c1-5-8(4)10-9(6-2)7-3/h5-7H,1-2,4H2,3H3/b9-7+.
What are the key properties of (3E)-3-buta-1,3-dien-2-yloxypenta-1,3-diene?
(3E)-3-buta-1,3-dien-2-yloxypenta-1,3-diene has a molecular weight of 136.19 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-buta-1,3-dien-2-yloxypenta-1,3-diene is sourced from PubChem (CID 88534344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).