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

C8H14O3 — CID 134992785

IUPAC(5R,6R)-3,5-dimethyl-6-prop-1-en-2-yl-1,2,4-trioxane
SMILESC=C(C)[C@H]1OOC(C)O[C@@H]1C
InChIInChI=1S/C8H14O3/c1-5(2)8-6(3)9-7(4)10-11-8/h6-8H,1H2,2-4H3/t6-,7?,8-/m1/s1
InChIKeyHQZWDRNDPAIRDW-OECOWPMFSA-N
MW158.20 g/mol
LogP1.64
Rot. Bonds1

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

(5R,6R)-3,5-dimethyl-6-prop-1-en-2-yl-1,2,4-trioxane (PubChem CID 134992785) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is (5R,6R)-3,5-dimethyl-6-prop-1-en-2-yl-1,2,4-trioxane.

Molecular Properties

Compound Name(5R,6R)-3,5-dimethyl-6-prop-1-en-2-yl-1,2,4-trioxane
PubChem CID134992785
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name(5R,6R)-3,5-dimethyl-6-prop-1-en-2-yl-1,2,4-trioxane
SMILESC=C(C)[C@H]1OOC(C)O[C@@H]1C
InChIInChI=1S/C8H14O3/c1-5(2)8-6(3)9-7(4)10-11-8/h6-8H,1H2,2-4H3/t6-,7?,8-/m1/s1
InChIKeyHQZWDRNDPAIRDW-OECOWPMFSA-N
XLogP1.64
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.64
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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Related Compounds

(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
(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
(4S)-4-(2,2-diethoxyethoxy)-2-methylpent-1-ene
CID 153447615
(5S,6S)-3,3,5-trimethyl-6-prop-1-en-2-yl-1,2,4-trioxane
CID 101738633
(8S,9R)-9-methyl-8-prop-1-en-2-yl-6,7,10-trioxaspiro[4.5]decane
CID 124653674
(8R,9S)-9-methyl-8-prop-1-en-2-yl-6,7,10-trioxaspiro[4.5]decane
CID 124653676
(5R,6R)-3-ethoxy-3,5-dimethyl-6-prop-1-en-2-yl-1,2,4-trioxane
CID 131854219

Frequently Asked Questions

What is the IUPAC name of (5R,6R)-3,5-dimethyl-6-prop-1-en-2-yl-1,2,4-trioxane?
The IUPAC name of (5R,6R)-3,5-dimethyl-6-prop-1-en-2-yl-1,2,4-trioxane (CID 134992785) is (5R,6R)-3,5-dimethyl-6-prop-1-en-2-yl-1,2,4-trioxane.
What is the SMILES notation for (5R,6R)-3,5-dimethyl-6-prop-1-en-2-yl-1,2,4-trioxane?
The canonical SMILES for (5R,6R)-3,5-dimethyl-6-prop-1-en-2-yl-1,2,4-trioxane is C=C(C)[C@H]1OOC(C)O[C@@H]1C.
What is the InChIKey of (5R,6R)-3,5-dimethyl-6-prop-1-en-2-yl-1,2,4-trioxane?
The InChIKey is HQZWDRNDPAIRDW-OECOWPMFSA-N. The full InChI is InChI=1S/C8H14O3/c1-5(2)8-6(3)9-7(4)10-11-8/h6-8H,1H2,2-4H3/t6-,7?,8-/m1/s1.
What are the key properties of (5R,6R)-3,5-dimethyl-6-prop-1-en-2-yl-1,2,4-trioxane?
(5R,6R)-3,5-dimethyl-6-prop-1-en-2-yl-1,2,4-trioxane has a molecular weight of 158.20 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-3,5-dimethyl-6-prop-1-en-2-yl-1,2,4-trioxane is sourced from PubChem (CID 134992785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).