(2R,4S,5R)-2-methoxy-3,4,5-trimethyl-6-(2-methylprop-1-enyl)oxane

C13H24O2 — CID 58241354

IUPAC(2R,4S,5R)-2-methoxy-3,4,5-trimethyl-6-(2-methylprop-1-enyl)oxane
SMILESCO[C@@H]1OC(C=C(C)C)[C@H](C)[C@H](C)C1C
InChIInChI=1S/C13H24O2/c1-8(2)7-12-10(4)9(3)11(5)13(14-6)15-12/h7,9-13H,1-6H3/t9-,10+,11?,12?,13+/m0/s1
InChIKeyUCAYOCMSUVFXKW-RQRKLZJJSA-N
MW212.33 g/mol
LogP3.23
Rot. Bonds2

About (2R,4S,5R)-2-methoxy-3,4,5-trimethyl-6-(2-methylprop-1-enyl)oxane

(2R,4S,5R)-2-methoxy-3,4,5-trimethyl-6-(2-methylprop-1-enyl)oxane (PubChem CID 58241354) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is (2R,4S,5R)-2-methoxy-3,4,5-trimethyl-6-(2-methylprop-1-enyl)oxane.

Molecular Properties

Compound Name(2R,4S,5R)-2-methoxy-3,4,5-trimethyl-6-(2-methylprop-1-enyl)oxane
PubChem CID58241354
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name(2R,4S,5R)-2-methoxy-3,4,5-trimethyl-6-(2-methylprop-1-enyl)oxane
SMILESCO[C@@H]1OC(C=C(C)C)[C@H](C)[C@H](C)C1C
InChIInChI=1S/C13H24O2/c1-8(2)7-12-10(4)9(3)11(5)13(14-6)15-12/h7,9-13H,1-6H3/t9-,10+,11?,12?,13+/m0/s1
InChIKeyUCAYOCMSUVFXKW-RQRKLZJJSA-N
XLogP3.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-Dimethyl-5-heptenyl)-4-methyl-1,3-dioxane
CID 228644
3,7-Dimethyl-1,10-dioxaspiro[4.5]dec-3-ene
CID 10535117
(2S,3R,4R)-4-methoxy-2-[(2S)-1-(methoxymethoxy)propan-2-yl]-3,6-dimethyl-3,4-dihydro-2H-pyran
CID 23635075
(3R,6S)-3-ethyl-1,7-dioxaspiro[5.5]undec-10-ene
CID 101608922
(6R)-2,2,4-trimethyl-1,7-dioxaspiro[5.5]undec-4-ene
CID 102279170
4-Methylene-6-(2-methylprop-1-enyl)-2-ethoxy-tetrahydro-2h-pyran
CID 129745543
2-[(E)-1-[(1S,2S)-2-ethylcyclopentyl]oct-1-en-3-yl]oxyoxane
CID 134849756
(3R,6R)-3-ethyl-1,7-dioxaspiro[5.5]undec-10-ene
CID 134993637
2-[(Z)-6-[(3R,6R)-6-methoxy-2,3-dimethylcyclohexen-1-yl]hex-3-enoxy]oxane
CID 135050594
(4R,5S,6R)-6-(1-methoxyprop-2-ynoxy)-1,5-dimethyl-4-prop-1-en-2-ylcyclohexene
CID 138964086
2-[(4,6,6-Trimethyl-2-bicyclo[3.1.1]hept-3-enyl)oxy]oxane
CID 289719
2-[(3,5,5-Trimethylcyclohex-2-en-1-yl)oxy]oxane
CID 330572

Frequently Asked Questions

What is the IUPAC name of (2R,4S,5R)-2-methoxy-3,4,5-trimethyl-6-(2-methylprop-1-enyl)oxane?
The IUPAC name of (2R,4S,5R)-2-methoxy-3,4,5-trimethyl-6-(2-methylprop-1-enyl)oxane (CID 58241354) is (2R,4S,5R)-2-methoxy-3,4,5-trimethyl-6-(2-methylprop-1-enyl)oxane.
What is the SMILES notation for (2R,4S,5R)-2-methoxy-3,4,5-trimethyl-6-(2-methylprop-1-enyl)oxane?
The canonical SMILES for (2R,4S,5R)-2-methoxy-3,4,5-trimethyl-6-(2-methylprop-1-enyl)oxane is CO[C@@H]1OC(C=C(C)C)[C@H](C)[C@H](C)C1C.
What is the InChIKey of (2R,4S,5R)-2-methoxy-3,4,5-trimethyl-6-(2-methylprop-1-enyl)oxane?
The InChIKey is UCAYOCMSUVFXKW-RQRKLZJJSA-N. The full InChI is InChI=1S/C13H24O2/c1-8(2)7-12-10(4)9(3)11(5)13(14-6)15-12/h7,9-13H,1-6H3/t9-,10+,11?,12?,13+/m0/s1.
What are the key properties of (2R,4S,5R)-2-methoxy-3,4,5-trimethyl-6-(2-methylprop-1-enyl)oxane?
(2R,4S,5R)-2-methoxy-3,4,5-trimethyl-6-(2-methylprop-1-enyl)oxane has a molecular weight of 212.33 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5R)-2-methoxy-3,4,5-trimethyl-6-(2-methylprop-1-enyl)oxane is sourced from PubChem (CID 58241354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).