(2R)-1-methoxy-2-prop-2-enylbicyclo[2.2.2]octane

C12H20O — CID 94035038

IUPAC(2R)-1-methoxy-2-prop-2-enylbicyclo[2.2.2]octane
SMILESC=CC[C@@H]1CC2CCC1(OC)CC2
InChIInChI=1S/C12H20O/c1-3-4-11-9-10-5-7-12(11,13-2)8-6-10/h3,10-11H,1,4-9H2,2H3/t10?,11-,12?/m1/s1
InChIKeyFXDIOHHICCKNHD-MOENNCHZSA-N
MW180.29 g/mol
LogP3.16
Rot. Bonds3

About (2R)-1-methoxy-2-prop-2-enylbicyclo[2.2.2]octane

(2R)-1-methoxy-2-prop-2-enylbicyclo[2.2.2]octane (PubChem CID 94035038) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is (2R)-1-methoxy-2-prop-2-enylbicyclo[2.2.2]octane.

Molecular Properties

Compound Name(2R)-1-methoxy-2-prop-2-enylbicyclo[2.2.2]octane
PubChem CID94035038
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name(2R)-1-methoxy-2-prop-2-enylbicyclo[2.2.2]octane
SMILESC=CC[C@@H]1CC2CCC1(OC)CC2
InChIInChI=1S/C12H20O/c1-3-4-11-9-10-5-7-12(11,13-2)8-6-10/h3,10-11H,1,4-9H2,2H3/t10?,11-,12?/m1/s1
InChIKeyFXDIOHHICCKNHD-MOENNCHZSA-N
XLogP3.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-1-methoxybicyclo[2.2.2]octane
CID 13448357
2-ethyl-1-prop-2-enoxybicyclo[2.2.1]heptane
CID 67923105
1-methyl-1-(1-methyl-2-prop-2-enylcyclopentyl)oxy-2-prop-2-enylcyclopentane
CID 70503780
1,1-dimethyl-2-prop-2-enylcyclopropane
CID 534921
[4-methoxy-4-(4-prop-2-enylcyclohexyl)cyclohexyl]benzene
CID 70522891
4-tert-butyl-1-methyl-2-prop-2-enylcyclohexan-1-ol;propane
CID 144805649
(2-ethyl-1-bicyclo[2.2.1]heptanyl) acetate
CID 68741110
4-methyl-1-propan-2-yl-2-prop-2-enylcyclohexan-1-amine
CID 166844124
2-prop-2-enylcyclohexane-1,1-diamine
CID 175214314
cis-(2S,4S)-4-hydroxy-1-methyl-2-prop-2-enylcyclohexane-1-carboxylic acid
CID 67842177
1-bromo-2-[(E)-4-methoxybut-3-enyl]bicyclo[2.2.2]octane
CID 134889710
[(1S,2R)-1-ethynyl-2-prop-2-enylcyclohexyl] acetate
CID 102265725

Frequently Asked Questions

What is the IUPAC name of (2R)-1-methoxy-2-prop-2-enylbicyclo[2.2.2]octane?
The IUPAC name of (2R)-1-methoxy-2-prop-2-enylbicyclo[2.2.2]octane (CID 94035038) is (2R)-1-methoxy-2-prop-2-enylbicyclo[2.2.2]octane.
What is the SMILES notation for (2R)-1-methoxy-2-prop-2-enylbicyclo[2.2.2]octane?
The canonical SMILES for (2R)-1-methoxy-2-prop-2-enylbicyclo[2.2.2]octane is C=CC[C@@H]1CC2CCC1(OC)CC2.
What is the InChIKey of (2R)-1-methoxy-2-prop-2-enylbicyclo[2.2.2]octane?
The InChIKey is FXDIOHHICCKNHD-MOENNCHZSA-N. The full InChI is InChI=1S/C12H20O/c1-3-4-11-9-10-5-7-12(11,13-2)8-6-10/h3,10-11H,1,4-9H2,2H3/t10?,11-,12?/m1/s1.
What are the key properties of (2R)-1-methoxy-2-prop-2-enylbicyclo[2.2.2]octane?
(2R)-1-methoxy-2-prop-2-enylbicyclo[2.2.2]octane has a molecular weight of 180.29 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-methoxy-2-prop-2-enylbicyclo[2.2.2]octane is sourced from PubChem (CID 94035038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).