trans-(1S,2S)-1-methoxy-2-methylcyclopropane

C5H10O — CID 176834458

IUPACtrans-(1S,2S)-1-methoxy-2-methylcyclopropane
SMILESCO[C@H]1C[C@@H]1C
InChIInChI=1S/C5H10O/c1-4-3-5(4)6-2/h4-5H,3H2,1-2H3/t4-,5-/m0/s1
InChIKeyFWTJMAAEPVDMQP-WHFBIAKZSA-N
MW86.13 g/mol
LogP1.04
Rot. Bonds1

About trans-(1S,2S)-1-methoxy-2-methylcyclopropane

trans-(1S,2S)-1-methoxy-2-methylcyclopropane (PubChem CID 176834458) has the molecular formula C5H10O and a molecular weight of 86.13 g/mol. Its IUPAC name is trans-(1S,2S)-1-methoxy-2-methylcyclopropane.

Molecular Properties

Compound Nametrans-(1S,2S)-1-methoxy-2-methylcyclopropane
PubChem CID176834458
Molecular FormulaC5H10O
Molecular Weight86.13 g/mol
Exact Mass86.07
IUPAC Nametrans-(1S,2S)-1-methoxy-2-methylcyclopropane
SMILESCO[C@H]1C[C@@H]1C
InChIInChI=1S/C5H10O/c1-4-3-5(4)6-2/h4-5H,3H2,1-2H3/t4-,5-/m0/s1
InChIKeyFWTJMAAEPVDMQP-WHFBIAKZSA-N
XLogP1.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.13
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze trans-(1S,2S)-1-methoxy-2-methylcyclopropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-1-methoxy-2-methylcyclopropane?
The IUPAC name of trans-(1S,2S)-1-methoxy-2-methylcyclopropane (CID 176834458) is trans-(1S,2S)-1-methoxy-2-methylcyclopropane.
What is the SMILES notation for trans-(1S,2S)-1-methoxy-2-methylcyclopropane?
The canonical SMILES for trans-(1S,2S)-1-methoxy-2-methylcyclopropane is CO[C@H]1C[C@@H]1C.
What is the InChIKey of trans-(1S,2S)-1-methoxy-2-methylcyclopropane?
The InChIKey is FWTJMAAEPVDMQP-WHFBIAKZSA-N. The full InChI is InChI=1S/C5H10O/c1-4-3-5(4)6-2/h4-5H,3H2,1-2H3/t4-,5-/m0/s1.
What are the key properties of trans-(1S,2S)-1-methoxy-2-methylcyclopropane?
trans-(1S,2S)-1-methoxy-2-methylcyclopropane has a molecular weight of 86.13 g/mol, XLogP of 1.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-1-methoxy-2-methylcyclopropane is sourced from PubChem (CID 176834458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).