cis-(1S,2R)-2-[(2R)-2-cyclohexyl-2-hydroxyethyl]-1-methylcyclopropan-1-ol

C12H22O2 — CID 102463954

IUPACcis-(1S,2R)-2-[(2R)-2-cyclohexyl-2-hydroxyethyl]-1-methylcyclopropan-1-ol
SMILESC[C@]1(O)C[C@H]1C[C@@H](O)C1CCCCC1
InChIInChI=1S/C12H22O2/c1-12(14)8-10(12)7-11(13)9-5-3-2-4-6-9/h9-11,13-14H,2-8H2,1H3/t10-,11-,12+/m1/s1
InChIKeyUKGGXDXHRCIANF-UTUOFQBUSA-N
MW198.31 g/mol
LogP2.09
Rot. Bonds3

About cis-(1S,2R)-2-[(2R)-2-cyclohexyl-2-hydroxyethyl]-1-methylcyclopropan-1-ol

cis-(1S,2R)-2-[(2R)-2-cyclohexyl-2-hydroxyethyl]-1-methylcyclopropan-1-ol (PubChem CID 102463954) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is cis-(1S,2R)-2-[(2R)-2-cyclohexyl-2-hydroxyethyl]-1-methylcyclopropan-1-ol.

Molecular Properties

Compound Namecis-(1S,2R)-2-[(2R)-2-cyclohexyl-2-hydroxyethyl]-1-methylcyclopropan-1-ol
PubChem CID102463954
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Namecis-(1S,2R)-2-[(2R)-2-cyclohexyl-2-hydroxyethyl]-1-methylcyclopropan-1-ol
SMILESC[C@]1(O)C[C@H]1C[C@@H](O)C1CCCCC1
InChIInChI=1S/C12H22O2/c1-12(14)8-10(12)7-11(13)9-5-3-2-4-6-9/h9-11,13-14H,2-8H2,1H3/t10-,11-,12+/m1/s1
InChIKeyUKGGXDXHRCIANF-UTUOFQBUSA-N
XLogP2.09
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[(2R)-2-cyclohexyl-2-hydroxyethyl]-1-methylcyclopropan-1-ol?
The IUPAC name of cis-(1S,2R)-2-[(2R)-2-cyclohexyl-2-hydroxyethyl]-1-methylcyclopropan-1-ol (CID 102463954) is cis-(1S,2R)-2-[(2R)-2-cyclohexyl-2-hydroxyethyl]-1-methylcyclopropan-1-ol.
What is the SMILES notation for cis-(1S,2R)-2-[(2R)-2-cyclohexyl-2-hydroxyethyl]-1-methylcyclopropan-1-ol?
The canonical SMILES for cis-(1S,2R)-2-[(2R)-2-cyclohexyl-2-hydroxyethyl]-1-methylcyclopropan-1-ol is C[C@]1(O)C[C@H]1C[C@@H](O)C1CCCCC1.
What is the InChIKey of cis-(1S,2R)-2-[(2R)-2-cyclohexyl-2-hydroxyethyl]-1-methylcyclopropan-1-ol?
The InChIKey is UKGGXDXHRCIANF-UTUOFQBUSA-N. The full InChI is InChI=1S/C12H22O2/c1-12(14)8-10(12)7-11(13)9-5-3-2-4-6-9/h9-11,13-14H,2-8H2,1H3/t10-,11-,12+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[(2R)-2-cyclohexyl-2-hydroxyethyl]-1-methylcyclopropan-1-ol?
cis-(1S,2R)-2-[(2R)-2-cyclohexyl-2-hydroxyethyl]-1-methylcyclopropan-1-ol has a molecular weight of 198.31 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[(2R)-2-cyclohexyl-2-hydroxyethyl]-1-methylcyclopropan-1-ol is sourced from PubChem (CID 102463954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).