(Z)-2-bromo-1,1-bis(prop-2-enoxy)but-2-ene

C10H15BrO2 — CID 5469951

IUPAC(Z)-2-bromo-1,1-bis(prop-2-enoxy)but-2-ene
SMILESC=CCOC(OCC=C)/C(Br)=C/C
InChIInChI=1S/C10H15BrO2/c1-4-7-12-10(9(11)6-3)13-8-5-2/h4-6,10H,1-2,7-8H2,3H3/b9-6-
InChIKeyHGZGFEKGYWBLPB-TWGQIWQCSA-N
MW247.13 g/mol
LogP3.02
Rot. Bonds7

About (Z)-2-bromo-1,1-bis(prop-2-enoxy)but-2-ene

(Z)-2-bromo-1,1-bis(prop-2-enoxy)but-2-ene (PubChem CID 5469951) has the molecular formula C10H15BrO2 and a molecular weight of 247.13 g/mol. Its IUPAC name is (Z)-2-bromo-1,1-bis(prop-2-enoxy)but-2-ene.

Molecular Properties

Compound Name(Z)-2-bromo-1,1-bis(prop-2-enoxy)but-2-ene
PubChem CID5469951
Molecular FormulaC10H15BrO2
Molecular Weight247.13 g/mol
Exact Mass246.03
IUPAC Name(Z)-2-bromo-1,1-bis(prop-2-enoxy)but-2-ene
SMILESC=CCOC(OCC=C)/C(Br)=C/C
InChIInChI=1S/C10H15BrO2/c1-4-7-12-10(9(11)6-3)13-8-5-2/h4-6,10H,1-2,7-8H2,3H3/b9-6-
InChIKeyHGZGFEKGYWBLPB-TWGQIWQCSA-N
XLogP3.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.13
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-bromo-1,1-bis(prop-2-enoxy)but-2-ene?
The IUPAC name of (Z)-2-bromo-1,1-bis(prop-2-enoxy)but-2-ene (CID 5469951) is (Z)-2-bromo-1,1-bis(prop-2-enoxy)but-2-ene.
What is the SMILES notation for (Z)-2-bromo-1,1-bis(prop-2-enoxy)but-2-ene?
The canonical SMILES for (Z)-2-bromo-1,1-bis(prop-2-enoxy)but-2-ene is C=CCOC(OCC=C)/C(Br)=C/C.
What is the InChIKey of (Z)-2-bromo-1,1-bis(prop-2-enoxy)but-2-ene?
The InChIKey is HGZGFEKGYWBLPB-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H15BrO2/c1-4-7-12-10(9(11)6-3)13-8-5-2/h4-6,10H,1-2,7-8H2,3H3/b9-6-.
What are the key properties of (Z)-2-bromo-1,1-bis(prop-2-enoxy)but-2-ene?
(Z)-2-bromo-1,1-bis(prop-2-enoxy)but-2-ene has a molecular weight of 247.13 g/mol, XLogP of 3.02, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-bromo-1,1-bis(prop-2-enoxy)but-2-ene is sourced from PubChem (CID 5469951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).