(E)-1,4-dibutoxybut-2-ene

C12H24O2 — CID 10998037

IUPAC(E)-1,4-dibutoxybut-2-ene
SMILESCCCCOC/C=C/COCCCC
InChIInChI=1S/C12H24O2/c1-3-5-9-13-11-7-8-12-14-10-6-4-2/h7-8H,3-6,9-12H2,1-2H3/b8-7+
InChIKeyRRLVGWXJAKXDNP-BQYQJAHWSA-N
MW200.32 g/mol
LogP3.18
Rot. Bonds10

About (E)-1,4-dibutoxybut-2-ene

(E)-1,4-dibutoxybut-2-ene (PubChem CID 10998037) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is (E)-1,4-dibutoxybut-2-ene.

Molecular Properties

Compound Name(E)-1,4-dibutoxybut-2-ene
PubChem CID10998037
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name(E)-1,4-dibutoxybut-2-ene
SMILESCCCCOC/C=C/COCCCC
InChIInChI=1S/C12H24O2/c1-3-5-9-13-11-7-8-12-14-10-6-4-2/h7-8H,3-6,9-12H2,1-2H3/b8-7+
InChIKeyRRLVGWXJAKXDNP-BQYQJAHWSA-N
XLogP3.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-1,4-dibutoxybut-2-ene 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 (E)-1,4-dibutoxybut-2-ene?
The IUPAC name of (E)-1,4-dibutoxybut-2-ene (CID 10998037) is (E)-1,4-dibutoxybut-2-ene.
What is the SMILES notation for (E)-1,4-dibutoxybut-2-ene?
The canonical SMILES for (E)-1,4-dibutoxybut-2-ene is CCCCOC/C=C/COCCCC.
What is the InChIKey of (E)-1,4-dibutoxybut-2-ene?
The InChIKey is RRLVGWXJAKXDNP-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H24O2/c1-3-5-9-13-11-7-8-12-14-10-6-4-2/h7-8H,3-6,9-12H2,1-2H3/b8-7+.
What are the key properties of (E)-1,4-dibutoxybut-2-ene?
(E)-1,4-dibutoxybut-2-ene has a molecular weight of 200.32 g/mol, XLogP of 3.18, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,4-dibutoxybut-2-ene is sourced from PubChem (CID 10998037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).