(Z)-1-bromo-4-prop-2-enoxybut-2-ene

C7H11BrO — CID 71770731

IUPAC(Z)-1-bromo-4-prop-2-enoxybut-2-ene
SMILESC=CCOC/C=C\CBr
InChIInChI=1S/C7H11BrO/c1-2-6-9-7-4-3-5-8/h2-4H,1,5-7H2/b4-3-
InChIKeySPFCARGRWXSYGT-ARJAWSKDSA-N
MW191.07 g/mol
LogP2.14
Rot. Bonds5

About (Z)-1-bromo-4-prop-2-enoxybut-2-ene

(Z)-1-bromo-4-prop-2-enoxybut-2-ene (PubChem CID 71770731) has the molecular formula C7H11BrO and a molecular weight of 191.07 g/mol. Its IUPAC name is (Z)-1-bromo-4-prop-2-enoxybut-2-ene.

Molecular Properties

Compound Name(Z)-1-bromo-4-prop-2-enoxybut-2-ene
PubChem CID71770731
Molecular FormulaC7H11BrO
Molecular Weight191.07 g/mol
Exact Mass190.00
IUPAC Name(Z)-1-bromo-4-prop-2-enoxybut-2-ene
SMILESC=CCOC/C=C\CBr
InChIInChI=1S/C7H11BrO/c1-2-6-9-7-4-3-5-8/h2-4H,1,5-7H2/b4-3-
InChIKeySPFCARGRWXSYGT-ARJAWSKDSA-N
XLogP2.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.07
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-bromo-4-prop-2-enoxybut-2-ene?
The IUPAC name of (Z)-1-bromo-4-prop-2-enoxybut-2-ene (CID 71770731) is (Z)-1-bromo-4-prop-2-enoxybut-2-ene.
What is the SMILES notation for (Z)-1-bromo-4-prop-2-enoxybut-2-ene?
The canonical SMILES for (Z)-1-bromo-4-prop-2-enoxybut-2-ene is C=CCOC/C=C\CBr.
What is the InChIKey of (Z)-1-bromo-4-prop-2-enoxybut-2-ene?
The InChIKey is SPFCARGRWXSYGT-ARJAWSKDSA-N. The full InChI is InChI=1S/C7H11BrO/c1-2-6-9-7-4-3-5-8/h2-4H,1,5-7H2/b4-3-.
What are the key properties of (Z)-1-bromo-4-prop-2-enoxybut-2-ene?
(Z)-1-bromo-4-prop-2-enoxybut-2-ene has a molecular weight of 191.07 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-bromo-4-prop-2-enoxybut-2-ene is sourced from PubChem (CID 71770731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).