cis-(1S,2S)-1,2-dimethylcyclopropan-1-ol

C5H10O — CID 14453683

IUPACcis-(1S,2S)-1,2-dimethylcyclopropan-1-ol
SMILESC[C@H]1C[C@]1(C)O
InChIInChI=1S/C5H10O/c1-4-3-5(4,2)6/h4,6H,3H2,1-2H3/t4-,5-/m0/s1
InChIKeyLLRXHYJWGRSYIZ-WHFBIAKZSA-N
MW86.13 g/mol
LogP0.78
Rot. Bonds

About cis-(1S,2S)-1,2-dimethylcyclopropan-1-ol

cis-(1S,2S)-1,2-dimethylcyclopropan-1-ol (PubChem CID 14453683) has the molecular formula C5H10O and a molecular weight of 86.13 g/mol. Its IUPAC name is cis-(1S,2S)-1,2-dimethylcyclopropan-1-ol.

Molecular Properties

Compound Namecis-(1S,2S)-1,2-dimethylcyclopropan-1-ol
PubChem CID14453683
Molecular FormulaC5H10O
Molecular Weight86.13 g/mol
Exact Mass86.07
IUPAC Namecis-(1S,2S)-1,2-dimethylcyclopropan-1-ol
SMILESC[C@H]1C[C@]1(C)O
InChIInChI=1S/C5H10O/c1-4-3-5(4,2)6/h4,6H,3H2,1-2H3/t4-,5-/m0/s1
InChIKeyLLRXHYJWGRSYIZ-WHFBIAKZSA-N
XLogP0.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.13
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-1,2-dimethylcyclopropan-1-ol?
The IUPAC name of cis-(1S,2S)-1,2-dimethylcyclopropan-1-ol (CID 14453683) is cis-(1S,2S)-1,2-dimethylcyclopropan-1-ol.
What is the SMILES notation for cis-(1S,2S)-1,2-dimethylcyclopropan-1-ol?
The canonical SMILES for cis-(1S,2S)-1,2-dimethylcyclopropan-1-ol is C[C@H]1C[C@]1(C)O.
What is the InChIKey of cis-(1S,2S)-1,2-dimethylcyclopropan-1-ol?
The InChIKey is LLRXHYJWGRSYIZ-WHFBIAKZSA-N. The full InChI is InChI=1S/C5H10O/c1-4-3-5(4,2)6/h4,6H,3H2,1-2H3/t4-,5-/m0/s1.
What are the key properties of cis-(1S,2S)-1,2-dimethylcyclopropan-1-ol?
cis-(1S,2S)-1,2-dimethylcyclopropan-1-ol has a molecular weight of 86.13 g/mol, XLogP of 0.78, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-1,2-dimethylcyclopropan-1-ol is sourced from PubChem (CID 14453683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).