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

C12H24O2 — CID 15357022

IUPAC(E)-1,4-dibutoxybut-1-ene
SMILESCCCCO/C=C/CCOCCCC
InChIInChI=1S/C12H24O2/c1-3-5-9-13-11-7-8-12-14-10-6-4-2/h7,11H,3-6,8-10,12H2,1-2H3/b11-7+
InChIKeyRUPOYZKPUJQXKU-YRNVUSSQSA-N
MW200.32 g/mol
LogP3.52
Rot. Bonds10

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

(E)-1,4-dibutoxybut-1-ene (PubChem CID 15357022) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is (E)-1,4-dibutoxybut-1-ene.

Molecular Properties

Compound Name(E)-1,4-dibutoxybut-1-ene
PubChem CID15357022
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name(E)-1,4-dibutoxybut-1-ene
SMILESCCCCO/C=C/CCOCCCC
InChIInChI=1S/C12H24O2/c1-3-5-9-13-11-7-8-12-14-10-6-4-2/h7,11H,3-6,8-10,12H2,1-2H3/b11-7+
InChIKeyRUPOYZKPUJQXKU-YRNVUSSQSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-butoxyheptadec-1-ene
CID 173032025
1-butoxynonadec-1-ene
CID 173032007
(E)-3-(3-butoxypropoxy)prop-2-en-1-amine
CID 163524543
4-butoxybut-3-en-1-amine
CID 174730615
1-butoxyocta-1,6-diene
CID 87963042
1-[(E)-but-1-enoxy]butane
CID 5364928
2-[2-[2-(2-hept-1-enoxyethoxy)ethoxy]ethoxy]ethanol
CID 86242770
(E)-1-(butoxymethoxy)-6-chlorohex-3-ene
CID 163205166
2-[2-[2-[2-[2-(2-oct-1-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 72996883
2-[2-[2-(2-octadec-1-enoxyethoxy)ethoxy]ethoxy]ethanol
CID 87285415
3-octadec-1-enoxypropan-1-ol
CID 552588
1-octa-1,6-dienoxyoctane
CID 88510416

Frequently Asked Questions

What is the IUPAC name of (E)-1,4-dibutoxybut-1-ene?
The IUPAC name of (E)-1,4-dibutoxybut-1-ene (CID 15357022) is (E)-1,4-dibutoxybut-1-ene.
What is the SMILES notation for (E)-1,4-dibutoxybut-1-ene?
The canonical SMILES for (E)-1,4-dibutoxybut-1-ene is CCCCO/C=C/CCOCCCC.
What is the InChIKey of (E)-1,4-dibutoxybut-1-ene?
The InChIKey is RUPOYZKPUJQXKU-YRNVUSSQSA-N. The full InChI is InChI=1S/C12H24O2/c1-3-5-9-13-11-7-8-12-14-10-6-4-2/h7,11H,3-6,8-10,12H2,1-2H3/b11-7+.
What are the key properties of (E)-1,4-dibutoxybut-1-ene?
(E)-1,4-dibutoxybut-1-ene has a molecular weight of 200.32 g/mol, XLogP of 3.52, 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-1-ene is sourced from PubChem (CID 15357022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).