1,1-dibromo-2-(prop-2-ynoxymethyl)cyclopropane

C7H8Br2O — CID 15591604

IUPAC1,1-dibromo-2-(prop-2-ynoxymethyl)cyclopropane
SMILESC#CCOCC1CC1(Br)Br
InChIInChI=1S/C7H8Br2O/c1-2-3-10-5-6-4-7(6,8)9/h1,6H,3-5H2
InChIKeyMMPSBTHRAAJEJF-UHFFFAOYSA-N
MW267.95 g/mol
LogP2.14
Rot. Bonds3

About 1,1-dibromo-2-(prop-2-ynoxymethyl)cyclopropane

1,1-dibromo-2-(prop-2-ynoxymethyl)cyclopropane (PubChem CID 15591604) has the molecular formula C7H8Br2O and a molecular weight of 267.95 g/mol. Its IUPAC name is 1,1-dibromo-2-(prop-2-ynoxymethyl)cyclopropane.

Molecular Properties

Compound Name1,1-dibromo-2-(prop-2-ynoxymethyl)cyclopropane
PubChem CID15591604
Molecular FormulaC7H8Br2O
Molecular Weight267.95 g/mol
Exact Mass265.89
IUPAC Name1,1-dibromo-2-(prop-2-ynoxymethyl)cyclopropane
SMILESC#CCOCC1CC1(Br)Br
InChIInChI=1S/C7H8Br2O/c1-2-3-10-5-6-4-7(6,8)9/h1,6H,3-5H2
InChIKeyMMPSBTHRAAJEJF-UHFFFAOYSA-N
XLogP2.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.95
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': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-dibromo-2-(prop-2-ynoxymethyl)cyclopropane?
The IUPAC name of 1,1-dibromo-2-(prop-2-ynoxymethyl)cyclopropane (CID 15591604) is 1,1-dibromo-2-(prop-2-ynoxymethyl)cyclopropane.
What is the SMILES notation for 1,1-dibromo-2-(prop-2-ynoxymethyl)cyclopropane?
The canonical SMILES for 1,1-dibromo-2-(prop-2-ynoxymethyl)cyclopropane is C#CCOCC1CC1(Br)Br.
What is the InChIKey of 1,1-dibromo-2-(prop-2-ynoxymethyl)cyclopropane?
The InChIKey is MMPSBTHRAAJEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Br2O/c1-2-3-10-5-6-4-7(6,8)9/h1,6H,3-5H2.
What are the key properties of 1,1-dibromo-2-(prop-2-ynoxymethyl)cyclopropane?
1,1-dibromo-2-(prop-2-ynoxymethyl)cyclopropane has a molecular weight of 267.95 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibromo-2-(prop-2-ynoxymethyl)cyclopropane is sourced from PubChem (CID 15591604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).