(5R,6R)-3,3-diethyl-5-methyl-6-prop-1-en-2-yl-1,2,4-trioxane

C11H20O3 — CID 10987268

IUPAC(5R,6R)-3,3-diethyl-5-methyl-6-prop-1-en-2-yl-1,2,4-trioxane
SMILESC=C(C)[C@H]1OOC(CC)(CC)O[C@@H]1C
InChIInChI=1S/C11H20O3/c1-6-11(7-2)12-9(5)10(8(3)4)13-14-11/h9-10H,3,6-7H2,1-2,4-5H3/t9-,10-/m1/s1
InChIKeyQTQNDJGSHTXOLL-NXEZZACHSA-N
MW200.28 g/mol
LogP2.81
Rot. Bonds3

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

(5R,6R)-3,3-diethyl-5-methyl-6-prop-1-en-2-yl-1,2,4-trioxane (PubChem CID 10987268) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is (5R,6R)-3,3-diethyl-5-methyl-6-prop-1-en-2-yl-1,2,4-trioxane.

Molecular Properties

Compound Name(5R,6R)-3,3-diethyl-5-methyl-6-prop-1-en-2-yl-1,2,4-trioxane
PubChem CID10987268
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name(5R,6R)-3,3-diethyl-5-methyl-6-prop-1-en-2-yl-1,2,4-trioxane
SMILESC=C(C)[C@H]1OOC(CC)(CC)O[C@@H]1C
InChIInChI=1S/C11H20O3/c1-6-11(7-2)12-9(5)10(8(3)4)13-14-11/h9-10H,3,6-7H2,1-2,4-5H3/t9-,10-/m1/s1
InChIKeyQTQNDJGSHTXOLL-NXEZZACHSA-N
XLogP2.81
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

(9S)-9-propan-2-yl-8-prop-1-en-2-yl-6,7,10-trioxaspiro[4.5]decane
CID 44391125
(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
(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
(3R,4R)-4-butyl-3-prop-1-en-2-yl-1,2,5-trioxaspiro[5.5]undecane
CID 44473595
(3S,4S)-4-ethyl-3-prop-1-en-2-yl-1,2,5-trioxaspiro[5.5]undecane
CID 44473748

Frequently Asked Questions

What is the IUPAC name of (5R,6R)-3,3-diethyl-5-methyl-6-prop-1-en-2-yl-1,2,4-trioxane?
The IUPAC name of (5R,6R)-3,3-diethyl-5-methyl-6-prop-1-en-2-yl-1,2,4-trioxane (CID 10987268) is (5R,6R)-3,3-diethyl-5-methyl-6-prop-1-en-2-yl-1,2,4-trioxane.
What is the SMILES notation for (5R,6R)-3,3-diethyl-5-methyl-6-prop-1-en-2-yl-1,2,4-trioxane?
The canonical SMILES for (5R,6R)-3,3-diethyl-5-methyl-6-prop-1-en-2-yl-1,2,4-trioxane is C=C(C)[C@H]1OOC(CC)(CC)O[C@@H]1C.
What is the InChIKey of (5R,6R)-3,3-diethyl-5-methyl-6-prop-1-en-2-yl-1,2,4-trioxane?
The InChIKey is QTQNDJGSHTXOLL-NXEZZACHSA-N. The full InChI is InChI=1S/C11H20O3/c1-6-11(7-2)12-9(5)10(8(3)4)13-14-11/h9-10H,3,6-7H2,1-2,4-5H3/t9-,10-/m1/s1.
What are the key properties of (5R,6R)-3,3-diethyl-5-methyl-6-prop-1-en-2-yl-1,2,4-trioxane?
(5R,6R)-3,3-diethyl-5-methyl-6-prop-1-en-2-yl-1,2,4-trioxane has a molecular weight of 200.28 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-3,3-diethyl-5-methyl-6-prop-1-en-2-yl-1,2,4-trioxane is sourced from PubChem (CID 10987268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).