trans-(1R,2S)-1-methoxy-2-methylcyclopropan-1-ol

C5H10O2 — CID 102096583

IUPACtrans-(1R,2S)-1-methoxy-2-methylcyclopropan-1-ol
SMILESCO[C@]1(O)C[C@@H]1C
InChIInChI=1S/C5H10O2/c1-4-3-5(4,6)7-2/h4,6H,3H2,1-2H3/t4-,5+/m0/s1
InChIKeySUTUONADBXVVMA-CRCLSJGQSA-N
MW102.13 g/mol
LogP0.36
Rot. Bonds1

About trans-(1R,2S)-1-methoxy-2-methylcyclopropan-1-ol

trans-(1R,2S)-1-methoxy-2-methylcyclopropan-1-ol (PubChem CID 102096583) has the molecular formula C5H10O2 and a molecular weight of 102.13 g/mol. Its IUPAC name is trans-(1R,2S)-1-methoxy-2-methylcyclopropan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2S)-1-methoxy-2-methylcyclopropan-1-ol
PubChem CID102096583
Molecular FormulaC5H10O2
Molecular Weight102.13 g/mol
Exact Mass102.07
IUPAC Nametrans-(1R,2S)-1-methoxy-2-methylcyclopropan-1-ol
SMILESCO[C@]1(O)C[C@@H]1C
InChIInChI=1S/C5H10O2/c1-4-3-5(4,6)7-2/h4,6H,3H2,1-2H3/t4-,5+/m0/s1
InChIKeySUTUONADBXVVMA-CRCLSJGQSA-N
XLogP0.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.13
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-2-methylcyclopropan-1-ol
CID 12590266
2-methylcyclopropane-1,1-diol
CID 68932442
1-[(1-methoxycyclobutyl)methyl]-2-methylcyclopropan-1-ol
CID 103558076
2-methoxyoxiran-2-ol
CID 123437916
2-methoxy-3-methyloxiran-2-ol
CID 141190129
1,2,2,3-tetramethylcyclobutan-1-ol
CID 175148355
O-[(1R,2R)-1,2-dimethylcyclopropyl]hydroxylamine
CID 54107984
3,3-dimethoxycyclobutan-1-ol
CID 130945109
2,2-dimethoxy-1,3-dimethylcyclohexan-1-ol
CID 166746994
(2S)-1,1,2-trimethylcyclopropane
CID 25022262
1-amino-2,6-dimethylcyclohexan-1-ol
CID 176657357
(2R,3S,4R)-2-methoxy-3,4-dimethyl-2-oxo-1,2lambda5-oxaphospholan-3-ol
CID 13309995

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-1-methoxy-2-methylcyclopropan-1-ol?
The IUPAC name of trans-(1R,2S)-1-methoxy-2-methylcyclopropan-1-ol (CID 102096583) is trans-(1R,2S)-1-methoxy-2-methylcyclopropan-1-ol.
What is the SMILES notation for trans-(1R,2S)-1-methoxy-2-methylcyclopropan-1-ol?
The canonical SMILES for trans-(1R,2S)-1-methoxy-2-methylcyclopropan-1-ol is CO[C@]1(O)C[C@@H]1C.
What is the InChIKey of trans-(1R,2S)-1-methoxy-2-methylcyclopropan-1-ol?
The InChIKey is SUTUONADBXVVMA-CRCLSJGQSA-N. The full InChI is InChI=1S/C5H10O2/c1-4-3-5(4,6)7-2/h4,6H,3H2,1-2H3/t4-,5+/m0/s1.
What are the key properties of trans-(1R,2S)-1-methoxy-2-methylcyclopropan-1-ol?
trans-(1R,2S)-1-methoxy-2-methylcyclopropan-1-ol has a molecular weight of 102.13 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-1-methoxy-2-methylcyclopropan-1-ol is sourced from PubChem (CID 102096583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).