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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Related Compounds

2-[(1S,3R)-6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl]ethanol
CID 59918329
3-(5-tert-butyl-2-methylidenecyclohexyl)propan-1-ol
CID 162758423
(1S,3S,4R)-4-(7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl)-3-(2-hydroxyethyl)-4-methylcyclohexan-1-ol;ethane
CID 142951401
4-(2-hydroxyethyl)-2,2-dimethyloxolan-3-one
CID 130691249
4-(5-tert-butyl-2-methylidenecyclohexyl)butan-2-one
CID 162758420
4-[(2S)-2-methyloxiran-2-yl]cyclohexene-1-carbaldehyde
CID 129250076
3-(2-methyloxiran-2-yl)-11-oxabicyclo[5.3.1]undecan-8-one
CID 142148831
CID 162414557
CID 162414557
(2R)-2-cyclohexyl-2-methyloxirane
CID 101039402
1-methylidene-2-(2-methylprop-2-enyl)cyclopentane
CID 13218167
1-methylidene-2-prop-1-en-2-ylcyclopentane
CID 86017725
(2-methylidenecyclopentyl)methanol;hydrochloride
CID 142907473

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).