trans-(1R,2S)-1-bromo-2-(dimethoxymethyl)cyclopropane

C6H11BrO2 — CID 71407671

IUPACtrans-(1R,2S)-1-bromo-2-(dimethoxymethyl)cyclopropane
SMILESCOC(OC)[C@@H]1C[C@H]1Br
InChIInChI=1S/C6H11BrO2/c1-8-6(9-2)4-3-5(4)7/h4-6H,3H2,1-2H3/t4-,5-/m1/s1
InChIKeyISEXTDNGUAALQN-RFZPGFLSSA-N
MW195.06 g/mol
LogP1.39
Rot. Bonds3

About trans-(1R,2S)-1-bromo-2-(dimethoxymethyl)cyclopropane

trans-(1R,2S)-1-bromo-2-(dimethoxymethyl)cyclopropane (PubChem CID 71407671) has the molecular formula C6H11BrO2 and a molecular weight of 195.06 g/mol. Its IUPAC name is trans-(1R,2S)-1-bromo-2-(dimethoxymethyl)cyclopropane.

Molecular Properties

Compound Nametrans-(1R,2S)-1-bromo-2-(dimethoxymethyl)cyclopropane
PubChem CID71407671
Molecular FormulaC6H11BrO2
Molecular Weight195.06 g/mol
Exact Mass193.99
IUPAC Nametrans-(1R,2S)-1-bromo-2-(dimethoxymethyl)cyclopropane
SMILESCOC(OC)[C@@H]1C[C@H]1Br
InChIInChI=1S/C6H11BrO2/c1-8-6(9-2)4-3-5(4)7/h4-6H,3H2,1-2H3/t4-,5-/m1/s1
InChIKeyISEXTDNGUAALQN-RFZPGFLSSA-N
XLogP1.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.06
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cis-(1R,2R)-2-(dimethoxymethyl)cyclopropane-1-carbaldehyde
CID 45083538
trans-(1S,2S)-2-(dimethoxymethyl)cyclopentan-1-ol
CID 11309669
3-(dimethoxymethyl)cyclobutan-1-ol
CID 168903688
(1R,4R,5S)-4-(dimethoxymethyl)-5-(hydroxymethyl)cyclohexane-1,2-diol
CID 156856968
(3R,4S)-4-(dimethoxymethyl)-1,3-dimethylcyclohexene
CID 89444486
1-[2-(dimethoxymethyl)cyclopentyl]-N,N-dimethylmethanamine
CID 123882722
(1R,2R)-2-(dimethoxymethyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 102396750
2-(dimethoxymethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 154554041
[(3R,4R)-4-(dimethoxymethyl)pyrrolidin-3-yl]carbamic acid
CID 90406503
trans-methoxymethyl (3R,4R)-3-(dimethoxymethyl)-4-(methoxymethoxy)cyclopentane-1-carboxylate
CID 13321597
(2S,4R)-4-(dimethoxymethyl)azetidine-2-carboxylic acid
CID 18640525
(2R)-2-(dimethoxymethyl)oxolane
CID 93340923

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-1-bromo-2-(dimethoxymethyl)cyclopropane?
The IUPAC name of trans-(1R,2S)-1-bromo-2-(dimethoxymethyl)cyclopropane (CID 71407671) is trans-(1R,2S)-1-bromo-2-(dimethoxymethyl)cyclopropane.
What is the SMILES notation for trans-(1R,2S)-1-bromo-2-(dimethoxymethyl)cyclopropane?
The canonical SMILES for trans-(1R,2S)-1-bromo-2-(dimethoxymethyl)cyclopropane is COC(OC)[C@@H]1C[C@H]1Br.
What is the InChIKey of trans-(1R,2S)-1-bromo-2-(dimethoxymethyl)cyclopropane?
The InChIKey is ISEXTDNGUAALQN-RFZPGFLSSA-N. The full InChI is InChI=1S/C6H11BrO2/c1-8-6(9-2)4-3-5(4)7/h4-6H,3H2,1-2H3/t4-,5-/m1/s1.
What are the key properties of trans-(1R,2S)-1-bromo-2-(dimethoxymethyl)cyclopropane?
trans-(1R,2S)-1-bromo-2-(dimethoxymethyl)cyclopropane has a molecular weight of 195.06 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-1-bromo-2-(dimethoxymethyl)cyclopropane is sourced from PubChem (CID 71407671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).