2-[(1S,5R)-2-methylidene-5-(2-methyloxiran-2-yl)cyclohexyl]ethanol

C12H20O2 — CID 130991407

IUPAC2-[(1S,5R)-2-methylidene-5-(2-methyloxiran-2-yl)cyclohexyl]ethanol
SMILESC=C1CC[C@@H](C2(C)CO2)C[C@H]1CCO
InChIInChI=1S/C12H20O2/c1-9-3-4-11(12(2)8-14-12)7-10(9)5-6-13/h10-11,13H,1,3-8H2,2H3/t10-,11-,12?/m1/s1
InChIKeyMGTXZPIMKUMXEC-XFKKCKKNSA-N
MW196.29 g/mol
LogP2.13
Rot. Bonds3

About 2-[(1S,5R)-2-methylidene-5-(2-methyloxiran-2-yl)cyclohexyl]ethanol

2-[(1S,5R)-2-methylidene-5-(2-methyloxiran-2-yl)cyclohexyl]ethanol (PubChem CID 130991407) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-[(1S,5R)-2-methylidene-5-(2-methyloxiran-2-yl)cyclohexyl]ethanol.

Molecular Properties

Compound Name2-[(1S,5R)-2-methylidene-5-(2-methyloxiran-2-yl)cyclohexyl]ethanol
PubChem CID130991407
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2-[(1S,5R)-2-methylidene-5-(2-methyloxiran-2-yl)cyclohexyl]ethanol
SMILESC=C1CC[C@@H](C2(C)CO2)C[C@H]1CCO
InChIInChI=1S/C12H20O2/c1-9-3-4-11(12(2)8-14-12)7-10(9)5-6-13/h10-11,13H,1,3-8H2,2H3/t10-,11-,12?/m1/s1
InChIKeyMGTXZPIMKUMXEC-XFKKCKKNSA-N
XLogP2.13
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,5R)-2-methylidene-5-(2-methyloxiran-2-yl)cyclohexyl]ethanol?
The IUPAC name of 2-[(1S,5R)-2-methylidene-5-(2-methyloxiran-2-yl)cyclohexyl]ethanol (CID 130991407) is 2-[(1S,5R)-2-methylidene-5-(2-methyloxiran-2-yl)cyclohexyl]ethanol.
What is the SMILES notation for 2-[(1S,5R)-2-methylidene-5-(2-methyloxiran-2-yl)cyclohexyl]ethanol?
The canonical SMILES for 2-[(1S,5R)-2-methylidene-5-(2-methyloxiran-2-yl)cyclohexyl]ethanol is C=C1CC[C@@H](C2(C)CO2)C[C@H]1CCO.
What is the InChIKey of 2-[(1S,5R)-2-methylidene-5-(2-methyloxiran-2-yl)cyclohexyl]ethanol?
The InChIKey is MGTXZPIMKUMXEC-XFKKCKKNSA-N. The full InChI is InChI=1S/C12H20O2/c1-9-3-4-11(12(2)8-14-12)7-10(9)5-6-13/h10-11,13H,1,3-8H2,2H3/t10-,11-,12?/m1/s1.
What are the key properties of 2-[(1S,5R)-2-methylidene-5-(2-methyloxiran-2-yl)cyclohexyl]ethanol?
2-[(1S,5R)-2-methylidene-5-(2-methyloxiran-2-yl)cyclohexyl]ethanol has a molecular weight of 196.29 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,5R)-2-methylidene-5-(2-methyloxiran-2-yl)cyclohexyl]ethanol is sourced from PubChem (CID 130991407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).