(5R,6R)-3-ethoxy-3,5-dimethyl-6-prop-1-en-2-yl-1,2,4-trioxane

C10H18O4 — CID 131854219

IUPAC(5R,6R)-3-ethoxy-3,5-dimethyl-6-prop-1-en-2-yl-1,2,4-trioxane
SMILESC=C(C)[C@H]1OOC(C)(OCC)O[C@@H]1C
InChIInChI=1S/C10H18O4/c1-6-11-10(5)12-8(4)9(7(2)3)13-14-10/h8-9H,2,6H2,1,3-5H3/t8-,9-,10?/m1/s1
InChIKeyRIWQOGGBHKOQTB-MGRQHWMJSA-N
MW202.25 g/mol
LogP2.01
Rot. Bonds3

About (5R,6R)-3-ethoxy-3,5-dimethyl-6-prop-1-en-2-yl-1,2,4-trioxane

(5R,6R)-3-ethoxy-3,5-dimethyl-6-prop-1-en-2-yl-1,2,4-trioxane (PubChem CID 131854219) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is (5R,6R)-3-ethoxy-3,5-dimethyl-6-prop-1-en-2-yl-1,2,4-trioxane.

Molecular Properties

Compound Name(5R,6R)-3-ethoxy-3,5-dimethyl-6-prop-1-en-2-yl-1,2,4-trioxane
PubChem CID131854219
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name(5R,6R)-3-ethoxy-3,5-dimethyl-6-prop-1-en-2-yl-1,2,4-trioxane
SMILESC=C(C)[C@H]1OOC(C)(OCC)O[C@@H]1C
InChIInChI=1S/C10H18O4/c1-6-11-10(5)12-8(4)9(7(2)3)13-14-10/h8-9H,2,6H2,1,3-5H3/t8-,9-,10?/m1/s1
InChIKeyRIWQOGGBHKOQTB-MGRQHWMJSA-N
XLogP2.01
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4S)-4-methyl-3-prop-1-en-2-yl-1,2,5-trioxaspiro[5.5]undecane
CID 44391140
(5S)-3,3,5-trimethyl-6-prop-1-en-2-yl-1,2,4-trioxane
CID 44391120
(5R,6R)-3,3-diethyl-5-methyl-6-prop-1-en-2-yl-1,2,4-trioxane
CID 10987268
(8R,9R)-9-methyl-8-prop-1-en-2-yl-6,7,10-trioxaspiro[4.5]decane
CID 11745613
3,3,5-Trimethyl-6-prop-1-en-2-yl-1,2,4-trioxane
CID 75009606
(5R,6R)-3,3,5-trimethyl-6-prop-1-en-2-yl-1,2,4-trioxane
CID 101224202
(3R,4R)-4-methyl-3-prop-1-en-2-yl-1,2,5-trioxaspiro[5.5]undecane
CID 101224203
(8S,9S)-9-methyl-8-prop-1-en-2-yl-6,7,10-trioxaspiro[4.5]decane
CID 124653675
(5R,6R)-3-ethyl-5-methyl-6-prop-1-en-2-yl-1,2,4-trioxane
CID 134992685
(5R,6R)-3,5-dimethyl-6-prop-1-en-2-yl-1,2,4-trioxane
CID 134992785
3-(4,4-Diethoxy-2-methylpent-1-en-3-yl)oxy-4,4-diethoxy-2-methylpent-1-ene
CID 22028202
(2R,3R,5R,6R)-5-ethenyl-6-ethyl-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane
CID 59351925

Frequently Asked Questions

What is the IUPAC name of (5R,6R)-3-ethoxy-3,5-dimethyl-6-prop-1-en-2-yl-1,2,4-trioxane?
The IUPAC name of (5R,6R)-3-ethoxy-3,5-dimethyl-6-prop-1-en-2-yl-1,2,4-trioxane (CID 131854219) is (5R,6R)-3-ethoxy-3,5-dimethyl-6-prop-1-en-2-yl-1,2,4-trioxane.
What is the SMILES notation for (5R,6R)-3-ethoxy-3,5-dimethyl-6-prop-1-en-2-yl-1,2,4-trioxane?
The canonical SMILES for (5R,6R)-3-ethoxy-3,5-dimethyl-6-prop-1-en-2-yl-1,2,4-trioxane is C=C(C)[C@H]1OOC(C)(OCC)O[C@@H]1C.
What is the InChIKey of (5R,6R)-3-ethoxy-3,5-dimethyl-6-prop-1-en-2-yl-1,2,4-trioxane?
The InChIKey is RIWQOGGBHKOQTB-MGRQHWMJSA-N. The full InChI is InChI=1S/C10H18O4/c1-6-11-10(5)12-8(4)9(7(2)3)13-14-10/h8-9H,2,6H2,1,3-5H3/t8-,9-,10?/m1/s1.
What are the key properties of (5R,6R)-3-ethoxy-3,5-dimethyl-6-prop-1-en-2-yl-1,2,4-trioxane?
(5R,6R)-3-ethoxy-3,5-dimethyl-6-prop-1-en-2-yl-1,2,4-trioxane has a molecular weight of 202.25 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-3-ethoxy-3,5-dimethyl-6-prop-1-en-2-yl-1,2,4-trioxane is sourced from PubChem (CID 131854219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).