(E)-2,3-dibromo-1,4-bis(prop-2-enoxy)but-2-ene

C10H14Br2O2 — CID 102121537

IUPAC(E)-2,3-dibromo-1,4-bis(prop-2-enoxy)but-2-ene
SMILESC=CCOC/C(Br)=C(\Br)COCC=C
InChIInChI=1S/C10H14Br2O2/c1-3-5-13-7-9(11)10(12)8-14-6-4-2/h3-4H,1-2,5-8H2/b10-9+
InChIKeyORSMWUIFKCBSHC-MDZDMXLPSA-N
MW326.03 g/mol
LogP3.39
Rot. Bonds8

About (E)-2,3-dibromo-1,4-bis(prop-2-enoxy)but-2-ene

(E)-2,3-dibromo-1,4-bis(prop-2-enoxy)but-2-ene (PubChem CID 102121537) has the molecular formula C10H14Br2O2 and a molecular weight of 326.03 g/mol. Its IUPAC name is (E)-2,3-dibromo-1,4-bis(prop-2-enoxy)but-2-ene.

Molecular Properties

Compound Name(E)-2,3-dibromo-1,4-bis(prop-2-enoxy)but-2-ene
PubChem CID102121537
Molecular FormulaC10H14Br2O2
Molecular Weight326.03 g/mol
Exact Mass323.94
IUPAC Name(E)-2,3-dibromo-1,4-bis(prop-2-enoxy)but-2-ene
SMILESC=CCOC/C(Br)=C(\Br)COCC=C
InChIInChI=1S/C10H14Br2O2/c1-3-5-13-7-9(11)10(12)8-14-6-4-2/h3-4H,1-2,5-8H2/b10-9+
InChIKeyORSMWUIFKCBSHC-MDZDMXLPSA-N
XLogP3.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.03
LogP ≤ 53.39
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

2-(prop-2-enoxymethyl)buta-1,3-diene
CID 13347168
2-chloro-3-prop-2-enoxyprop-1-ene
CID 13215592
CID 87625662
CID 87625662
2-prop-2-enoxyacetate
CID 19028340
2-(prop-2-enoxymethyl)prop-2-en-1-ol
CID 130130392
Potassium allyloxide
CID 87828396
(2Z,4E)-2-bromo-6,6-dimethyl-1-prop-2-enoxyhepta-2,4-diene
CID 15657332
azane;3-prop-2-enoxyprop-1-ene;hydrochloride
CID 173111955
3-prop-2-enoxyprop-1-ene-2-sulfinic acid
CID 143086703
tris(prop-1-ene);3-prop-2-enoxyprop-1-ene
CID 175414947
ethenamine;3-prop-2-enoxyprop-1-ene
CID 174942640
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ene
CID 58112303

Frequently Asked Questions

What is the IUPAC name of (E)-2,3-dibromo-1,4-bis(prop-2-enoxy)but-2-ene?
The IUPAC name of (E)-2,3-dibromo-1,4-bis(prop-2-enoxy)but-2-ene (CID 102121537) is (E)-2,3-dibromo-1,4-bis(prop-2-enoxy)but-2-ene.
What is the SMILES notation for (E)-2,3-dibromo-1,4-bis(prop-2-enoxy)but-2-ene?
The canonical SMILES for (E)-2,3-dibromo-1,4-bis(prop-2-enoxy)but-2-ene is C=CCOC/C(Br)=C(\Br)COCC=C.
What is the InChIKey of (E)-2,3-dibromo-1,4-bis(prop-2-enoxy)but-2-ene?
The InChIKey is ORSMWUIFKCBSHC-MDZDMXLPSA-N. The full InChI is InChI=1S/C10H14Br2O2/c1-3-5-13-7-9(11)10(12)8-14-6-4-2/h3-4H,1-2,5-8H2/b10-9+.
What are the key properties of (E)-2,3-dibromo-1,4-bis(prop-2-enoxy)but-2-ene?
(E)-2,3-dibromo-1,4-bis(prop-2-enoxy)but-2-ene has a molecular weight of 326.03 g/mol, XLogP of 3.39, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,3-dibromo-1,4-bis(prop-2-enoxy)but-2-ene is sourced from PubChem (CID 102121537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).