trans-(1R,2R)-1-bromo-2-ethoxycyclopropane

C5H9BrO — CID 12937421

IUPACtrans-(1R,2R)-1-bromo-2-ethoxycyclopropane
SMILESCCO[C@@H]1C[C@H]1Br
InChIInChI=1S/C5H9BrO/c1-2-7-5-3-4(5)6/h4-5H,2-3H2,1H3/t4-,5-/m1/s1
InChIKeyZWWCCVSLTYAXLH-RFZPGFLSSA-N
MW165.03 g/mol
LogP1.56
Rot. Bonds2

About trans-(1R,2R)-1-bromo-2-ethoxycyclopropane

trans-(1R,2R)-1-bromo-2-ethoxycyclopropane (PubChem CID 12937421) has the molecular formula C5H9BrO and a molecular weight of 165.03 g/mol. Its IUPAC name is trans-(1R,2R)-1-bromo-2-ethoxycyclopropane.

Molecular Properties

Compound Nametrans-(1R,2R)-1-bromo-2-ethoxycyclopropane
PubChem CID12937421
Molecular FormulaC5H9BrO
Molecular Weight165.03 g/mol
Exact Mass163.98
IUPAC Nametrans-(1R,2R)-1-bromo-2-ethoxycyclopropane
SMILESCCO[C@@H]1C[C@H]1Br
InChIInChI=1S/C5H9BrO/c1-2-7-5-3-4(5)6/h4-5H,2-3H2,1H3/t4-,5-/m1/s1
InChIKeyZWWCCVSLTYAXLH-RFZPGFLSSA-N
XLogP1.56
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 ≤ 51.56
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-1-ethoxycyclopropane
CID 13380321
2-(Bromomethyl)-3-methyloxirane
CID 12741628
1-Bromo-2-ethoxycyclopropane
CID 12937420
2-Bromo-3-methoxybutane
CID 523956
1-Bromo-3-(propan-2-yloxy)propane
CID 12613777
1-Bromo-3-ethoxybutane
CID 12927224
1-Bromo-4-(propan-2-yloxy)butane
CID 21434041
(2-Bromoethoxy)cyclopropane
CID 89453241
(3-Bromopropoxy)cyclopropane
CID 90046503
1-Bromo-2-methoxycyclopropane
CID 129993554
1,1-Dibromo-2-butoxycyclopropane
CID 13658044
1-(Bromomethyl)propyl ethyl ether
CID 13704128

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-1-bromo-2-ethoxycyclopropane?
The IUPAC name of trans-(1R,2R)-1-bromo-2-ethoxycyclopropane (CID 12937421) is trans-(1R,2R)-1-bromo-2-ethoxycyclopropane.
What is the SMILES notation for trans-(1R,2R)-1-bromo-2-ethoxycyclopropane?
The canonical SMILES for trans-(1R,2R)-1-bromo-2-ethoxycyclopropane is CCO[C@@H]1C[C@H]1Br.
What is the InChIKey of trans-(1R,2R)-1-bromo-2-ethoxycyclopropane?
The InChIKey is ZWWCCVSLTYAXLH-RFZPGFLSSA-N. The full InChI is InChI=1S/C5H9BrO/c1-2-7-5-3-4(5)6/h4-5H,2-3H2,1H3/t4-,5-/m1/s1.
What are the key properties of trans-(1R,2R)-1-bromo-2-ethoxycyclopropane?
trans-(1R,2R)-1-bromo-2-ethoxycyclopropane has a molecular weight of 165.03 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1-bromo-2-ethoxycyclopropane is sourced from PubChem (CID 12937421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).