trans-(1R,2S)-1-(methoxymethyl)-2-methylcyclopropane

C6H12O — CID 155612893

IUPACtrans-(1R,2S)-1-(methoxymethyl)-2-methylcyclopropane
SMILESCOC[C@@H]1C[C@@H]1C
InChIInChI=1S/C6H12O/c1-5-3-6(5)4-7-2/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1
InChIKeyUJUYWUHAFZCONO-WDSKDSINSA-N
MW100.16 g/mol
LogP1.29
Rot. Bonds2

About trans-(1R,2S)-1-(methoxymethyl)-2-methylcyclopropane

trans-(1R,2S)-1-(methoxymethyl)-2-methylcyclopropane (PubChem CID 155612893) has the molecular formula C6H12O and a molecular weight of 100.16 g/mol. Its IUPAC name is trans-(1R,2S)-1-(methoxymethyl)-2-methylcyclopropane.

Molecular Properties

Compound Nametrans-(1R,2S)-1-(methoxymethyl)-2-methylcyclopropane
PubChem CID155612893
Molecular FormulaC6H12O
Molecular Weight100.16 g/mol
Exact Mass100.09
IUPAC Nametrans-(1R,2S)-1-(methoxymethyl)-2-methylcyclopropane
SMILESCOC[C@@H]1C[C@@H]1C
InChIInChI=1S/C6H12O/c1-5-3-6(5)4-7-2/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1
InChIKeyUJUYWUHAFZCONO-WDSKDSINSA-N
XLogP1.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-1-(methoxymethyl)-2-methylcyclopropane?
The IUPAC name of trans-(1R,2S)-1-(methoxymethyl)-2-methylcyclopropane (CID 155612893) is trans-(1R,2S)-1-(methoxymethyl)-2-methylcyclopropane.
What is the SMILES notation for trans-(1R,2S)-1-(methoxymethyl)-2-methylcyclopropane?
The canonical SMILES for trans-(1R,2S)-1-(methoxymethyl)-2-methylcyclopropane is COC[C@@H]1C[C@@H]1C.
What is the InChIKey of trans-(1R,2S)-1-(methoxymethyl)-2-methylcyclopropane?
The InChIKey is UJUYWUHAFZCONO-WDSKDSINSA-N. The full InChI is InChI=1S/C6H12O/c1-5-3-6(5)4-7-2/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1.
What are the key properties of trans-(1R,2S)-1-(methoxymethyl)-2-methylcyclopropane?
trans-(1R,2S)-1-(methoxymethyl)-2-methylcyclopropane has a molecular weight of 100.16 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-1-(methoxymethyl)-2-methylcyclopropane is sourced from PubChem (CID 155612893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).