2,3-dimethyl-1,4-dipropoxybut-2-ene

C12H24O2 — CID 131851897

IUPAC2,3-dimethyl-1,4-dipropoxybut-2-ene
SMILESCCCOCC(C)=C(C)COCCC
InChIInChI=1S/C12H24O2/c1-5-7-13-9-11(3)12(4)10-14-8-6-2/h5-10H2,1-4H3
InChIKeyGBMOZNXHMVLWDG-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.18
Rot. Bonds8

About 2,3-dimethyl-1,4-dipropoxybut-2-ene

2,3-dimethyl-1,4-dipropoxybut-2-ene (PubChem CID 131851897) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 2,3-dimethyl-1,4-dipropoxybut-2-ene.

Molecular Properties

Compound Name2,3-dimethyl-1,4-dipropoxybut-2-ene
PubChem CID131851897
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name2,3-dimethyl-1,4-dipropoxybut-2-ene
SMILESCCCOCC(C)=C(C)COCCC
InChIInChI=1S/C12H24O2/c1-5-7-13-9-11(3)12(4)10-14-8-6-2/h5-10H2,1-4H3
InChIKeyGBMOZNXHMVLWDG-UHFFFAOYSA-N
XLogP3.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
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'}

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Related Compounds

ethane;propane;1-propoxypropane
CID 143757970
2-(2-propoxyethoxy)ethanethioamide
CID 63686022
1-amino-3-propoxypropan-2-one
CID 116548438
ethane-1,2-diol;methane;1-propoxypropane
CID 19065615
2-(propoxymethyl)prop-2-enal
CID 130805109
acetic acid;ethane-1,2-diol;1-propoxypropane
CID 87173369
N-(2-methylprop-2-enyl)-2-propoxyacetamide
CID 104955622
ethane;1-(2-propoxyethoxy)butane
CID 164535746
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 20613004
bis(propan-1-ol);bis(2-propoxyethanol)
CID 157411921
1-propoxy-3-(3-propoxypropoxy)propane
CID 90943526
1-ethoxypropane;methane
CID 158784820

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1,4-dipropoxybut-2-ene?
The IUPAC name of 2,3-dimethyl-1,4-dipropoxybut-2-ene (CID 131851897) is 2,3-dimethyl-1,4-dipropoxybut-2-ene.
What is the SMILES notation for 2,3-dimethyl-1,4-dipropoxybut-2-ene?
The canonical SMILES for 2,3-dimethyl-1,4-dipropoxybut-2-ene is CCCOCC(C)=C(C)COCCC.
What is the InChIKey of 2,3-dimethyl-1,4-dipropoxybut-2-ene?
The InChIKey is GBMOZNXHMVLWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-5-7-13-9-11(3)12(4)10-14-8-6-2/h5-10H2,1-4H3.
What are the key properties of 2,3-dimethyl-1,4-dipropoxybut-2-ene?
2,3-dimethyl-1,4-dipropoxybut-2-ene has a molecular weight of 200.32 g/mol, XLogP of 3.18, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1,4-dipropoxybut-2-ene is sourced from PubChem (CID 131851897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).