trans-(1S,2S)-1,2-dimethylcyclopropane

C5H10 — CID 12892789

IUPACtrans-(1S,2S)-1,2-dimethylcyclopropane
SMILESC[C@H]1C[C@@H]1C
InChIInChI=1S/C5H10/c1-4-3-5(4)2/h4-5H,3H2,1-2H3/t4-,5-/m0/s1
InChIKeyVKJLDXGFBJBTRQ-WHFBIAKZSA-N
MW70.13 g/mol
LogP1.66
Rot. Bonds

About trans-(1S,2S)-1,2-dimethylcyclopropane

trans-(1S,2S)-1,2-dimethylcyclopropane (PubChem CID 12892789) has the molecular formula C5H10 and a molecular weight of 70.13 g/mol. Its IUPAC name is trans-(1S,2S)-1,2-dimethylcyclopropane.

Molecular Properties

Compound Nametrans-(1S,2S)-1,2-dimethylcyclopropane
PubChem CID12892789
Molecular FormulaC5H10
Molecular Weight70.13 g/mol
Exact Mass70.08
IUPAC Nametrans-(1S,2S)-1,2-dimethylcyclopropane
SMILESC[C@H]1C[C@@H]1C
InChIInChI=1S/C5H10/c1-4-3-5(4)2/h4-5H,3H2,1-2H3/t4-,5-/m0/s1
InChIKeyVKJLDXGFBJBTRQ-WHFBIAKZSA-N
XLogP1.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50070.13
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-1,2-dimethylcyclopropane?
The IUPAC name of trans-(1S,2S)-1,2-dimethylcyclopropane (CID 12892789) is trans-(1S,2S)-1,2-dimethylcyclopropane.
What is the SMILES notation for trans-(1S,2S)-1,2-dimethylcyclopropane?
The canonical SMILES for trans-(1S,2S)-1,2-dimethylcyclopropane is C[C@H]1C[C@@H]1C.
What is the InChIKey of trans-(1S,2S)-1,2-dimethylcyclopropane?
The InChIKey is VKJLDXGFBJBTRQ-WHFBIAKZSA-N. The full InChI is InChI=1S/C5H10/c1-4-3-5(4)2/h4-5H,3H2,1-2H3/t4-,5-/m0/s1.
What are the key properties of trans-(1S,2S)-1,2-dimethylcyclopropane?
trans-(1S,2S)-1,2-dimethylcyclopropane has a molecular weight of 70.13 g/mol, XLogP of 1.66, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-1,2-dimethylcyclopropane is sourced from PubChem (CID 12892789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).