3,4-dibutoxybut-1-ene

C12H24O2 — CID 13442992

IUPAC3,4-dibutoxybut-1-ene
SMILESC=CC(COCCCC)OCCCC
InChIInChI=1S/C12H24O2/c1-4-7-9-13-11-12(6-3)14-10-8-5-2/h6,12H,3-5,7-11H2,1-2H3
InChIKeyALBXYVHAQLWEMM-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.17
Rot. Bonds10

About 3,4-dibutoxybut-1-ene

3,4-dibutoxybut-1-ene (PubChem CID 13442992) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 3,4-dibutoxybut-1-ene.

Molecular Properties

Compound Name3,4-dibutoxybut-1-ene
PubChem CID13442992
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name3,4-dibutoxybut-1-ene
SMILESC=CC(COCCCC)OCCCC
InChIInChI=1S/C12H24O2/c1-4-7-9-13-11-12(6-3)14-10-8-5-2/h6,12H,3-5,7-11H2,1-2H3
InChIKeyALBXYVHAQLWEMM-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
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'}

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Related Compounds

1-Propene, 3-(2-(2-methoxypropoxy)propoxy)-
CID 107063
Butane, 1-[2-(2-propen-1-yloxy)ethoxy]-
CID 87828
1-Butene, 3-butoxy-
CID 543705
3,4-Di(2-(2-(2-methoxyethoxy)ethoxy)ethoxy)butene
CID 18327886
Bis-(2-allyloxy-propyl) ether
CID 129659935
3-Butoxypent-1-en-2-yl hypofluorite
CID 88422960
2,5-Divinyl-1,4-dioxane
CID 543103
1-Butene, 3,4-dimethoxy-
CID 10866307
3,4-Dimethoxyhexa-1,5-diene
CID 13777932
(3R,4S)-4-prop-2-enoxy-3-[(3R,4S)-4-prop-2-enoxyhepta-1,6-dien-3-yl]oxyhepta-1,6-diene
CID 11232389
1-(2-Methoxyethoxy)cyclododeca-2,6,10-triene
CID 100981328
1,3-Dibutoxy-1-butene
CID 129808817

Frequently Asked Questions

What is the IUPAC name of 3,4-dibutoxybut-1-ene?
The IUPAC name of 3,4-dibutoxybut-1-ene (CID 13442992) is 3,4-dibutoxybut-1-ene.
What is the SMILES notation for 3,4-dibutoxybut-1-ene?
The canonical SMILES for 3,4-dibutoxybut-1-ene is C=CC(COCCCC)OCCCC.
What is the InChIKey of 3,4-dibutoxybut-1-ene?
The InChIKey is ALBXYVHAQLWEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-4-7-9-13-11-12(6-3)14-10-8-5-2/h6,12H,3-5,7-11H2,1-2H3.
What are the key properties of 3,4-dibutoxybut-1-ene?
3,4-dibutoxybut-1-ene has a molecular weight of 200.32 g/mol, XLogP of 3.17, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibutoxybut-1-ene is sourced from PubChem (CID 13442992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).