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

C4H8O — CID 13410812

IUPACtrans-(1S,2S)-2-methylcyclopropan-1-ol
SMILESC[C@H]1C[C@@H]1O
InChIInChI=1S/C4H8O/c1-3-2-4(3)5/h3-5H,2H2,1H3/t3-,4-/m0/s1
InChIKeyIWOYJFLNKCFMOS-IMJSIDKUSA-N
MW72.11 g/mol
LogP0.39
Rot. Bonds

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

trans-(1S,2S)-2-methylcyclopropan-1-ol (PubChem CID 13410812) has the molecular formula C4H8O and a molecular weight of 72.11 g/mol. Its IUPAC name is trans-(1S,2S)-2-methylcyclopropan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-methylcyclopropan-1-ol
PubChem CID13410812
Molecular FormulaC4H8O
Molecular Weight72.11 g/mol
Exact Mass72.06
IUPAC Nametrans-(1S,2S)-2-methylcyclopropan-1-ol
SMILESC[C@H]1C[C@@H]1O
InChIInChI=1S/C4H8O/c1-3-2-4(3)5/h3-5H,2H2,1H3/t3-,4-/m0/s1
InChIKeyIWOYJFLNKCFMOS-IMJSIDKUSA-N
XLogP0.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50072.11
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-methylcyclopropan-1-ol?
The IUPAC name of trans-(1S,2S)-2-methylcyclopropan-1-ol (CID 13410812) is trans-(1S,2S)-2-methylcyclopropan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-methylcyclopropan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-methylcyclopropan-1-ol is C[C@H]1C[C@@H]1O.
What is the InChIKey of trans-(1S,2S)-2-methylcyclopropan-1-ol?
The InChIKey is IWOYJFLNKCFMOS-IMJSIDKUSA-N. The full InChI is InChI=1S/C4H8O/c1-3-2-4(3)5/h3-5H,2H2,1H3/t3-,4-/m0/s1.
What are the key properties of trans-(1S,2S)-2-methylcyclopropan-1-ol?
trans-(1S,2S)-2-methylcyclopropan-1-ol has a molecular weight of 72.11 g/mol, XLogP of 0.39, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-methylcyclopropan-1-ol is sourced from PubChem (CID 13410812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).