1-bromo-1-ethoxycyclopropane

C5H9BrO — CID 13380321

IUPAC1-bromo-1-ethoxycyclopropane
SMILESCCOC1(Br)CC1
InChIInChI=1S/C5H9BrO/c1-2-7-5(6)3-4-5/h2-4H2,1H3
InChIKeyBKSPBKRLRIJAHF-UHFFFAOYSA-N
MW165.03 g/mol
LogP1.91
Rot. Bonds2

About 1-bromo-1-ethoxycyclopropane

1-bromo-1-ethoxycyclopropane (PubChem CID 13380321) has the molecular formula C5H9BrO and a molecular weight of 165.03 g/mol. Its IUPAC name is 1-bromo-1-ethoxycyclopropane.

Molecular Properties

Compound Name1-bromo-1-ethoxycyclopropane
PubChem CID13380321
Molecular FormulaC5H9BrO
Molecular Weight165.03 g/mol
Exact Mass163.98
IUPAC Name1-bromo-1-ethoxycyclopropane
SMILESCCOC1(Br)CC1
InChIInChI=1S/C5H9BrO/c1-2-7-5(6)3-4-5/h2-4H2,1H3
InChIKeyBKSPBKRLRIJAHF-UHFFFAOYSA-N
XLogP1.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.03
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Bromo-2-ethoxycyclopropane
CID 12937420
1,1-Dibromo-2-butoxycyclopropane
CID 13658044
1,1-Dibromo-2-ethoxycyclopropane
CID 12473778
1-Bromo-2-ethoxycyclopropyllithium
CID 15711178
1-Bromo-2-ethoxy-1-fluorocyclopropane
CID 23262285
1-Bromo-2-butoxy-1-fluorocyclopropane
CID 23262352
1-Bromo-1-methoxycyclopropane
CID 84763227
cis-(1S,2R)-1-bromo-2-butoxycyclopropane
CID 90226057
trans-(1S,2S)-1-bromo-2-butoxycyclopropane
CID 118524659
rac-(1R,2R)-1-bromo-2-ethoxycyclopropane
CID 12937421
cis-(1S,2R)-1-bromo-2-ethoxycyclopropane
CID 124630401
trans-(1S,2S)-1-bromo-2-ethoxycyclopropane
CID 124630402

Frequently Asked Questions

What is the IUPAC name of 1-bromo-1-ethoxycyclopropane?
The IUPAC name of 1-bromo-1-ethoxycyclopropane (CID 13380321) is 1-bromo-1-ethoxycyclopropane.
What is the SMILES notation for 1-bromo-1-ethoxycyclopropane?
The canonical SMILES for 1-bromo-1-ethoxycyclopropane is CCOC1(Br)CC1.
What is the InChIKey of 1-bromo-1-ethoxycyclopropane?
The InChIKey is BKSPBKRLRIJAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9BrO/c1-2-7-5(6)3-4-5/h2-4H2,1H3.
What are the key properties of 1-bromo-1-ethoxycyclopropane?
1-bromo-1-ethoxycyclopropane has a molecular weight of 165.03 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-1-ethoxycyclopropane is sourced from PubChem (CID 13380321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).