(6R,8R,8aR)-6-[(3R,4R,6S)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-2,7,8-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine

C20H36O5 — CID 59042859

IUPAC(6R,8R,8aR)-6-[(3R,4R,6S)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-2,7,8-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
SMILESCCC1O[C@@H](C)C(C)[C@@H](C)[C@H]1O[C@@H]1OC2COC(C)O[C@@H]2[C@H](C)C1C
InChIInChI=1S/C20H36O5/c1-8-16-18(11(3)10(2)14(6)22-16)25-20-13(5)12(4)19-17(24-20)9-21-15(7)23-19/h10-20H,8-9H2,1-7H3/t10?,11-,12-,13?,14+,15?,16?,17?,18-,19-,20+/m1/s1
InChIKeyLUTREPKTKTXVCX-FKWRGXTGSA-N
MW356.50 g/mol
LogP3.60
Rot. Bonds3

About (6R,8R,8aR)-6-[(3R,4R,6S)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-2,7,8-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine

(6R,8R,8aR)-6-[(3R,4R,6S)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-2,7,8-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine (PubChem CID 59042859) has the molecular formula C20H36O5 and a molecular weight of 356.50 g/mol. Its IUPAC name is (6R,8R,8aR)-6-[(3R,4R,6S)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-2,7,8-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine.

Molecular Properties

Compound Name(6R,8R,8aR)-6-[(3R,4R,6S)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-2,7,8-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
PubChem CID59042859
Molecular FormulaC20H36O5
Molecular Weight356.50 g/mol
Exact Mass356.26
IUPAC Name(6R,8R,8aR)-6-[(3R,4R,6S)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-2,7,8-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
SMILESCCC1O[C@@H](C)C(C)[C@@H](C)[C@H]1O[C@@H]1OC2COC(C)O[C@@H]2[C@H](C)C1C
InChIInChI=1S/C20H36O5/c1-8-16-18(11(3)10(2)14(6)22-16)25-20-13(5)12(4)19-17(24-20)9-21-15(7)23-19/h10-20H,8-9H2,1-7H3/t10?,11-,12-,13?,14+,15?,16?,17?,18-,19-,20+/m1/s1
InChIKeyLUTREPKTKTXVCX-FKWRGXTGSA-N
XLogP3.60
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6R,8R,8aR)-6-[(3R,4R,6S)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-2,7,8-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6R,8R,8aR)-6-[(3R,4R,6S)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-2,7,8-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine?
The IUPAC name of (6R,8R,8aR)-6-[(3R,4R,6S)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-2,7,8-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine (CID 59042859) is (6R,8R,8aR)-6-[(3R,4R,6S)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-2,7,8-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine.
What is the SMILES notation for (6R,8R,8aR)-6-[(3R,4R,6S)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-2,7,8-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine?
The canonical SMILES for (6R,8R,8aR)-6-[(3R,4R,6S)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-2,7,8-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine is CCC1O[C@@H](C)C(C)[C@@H](C)[C@H]1O[C@@H]1OC2COC(C)O[C@@H]2[C@H](C)C1C.
What is the InChIKey of (6R,8R,8aR)-6-[(3R,4R,6S)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-2,7,8-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine?
The InChIKey is LUTREPKTKTXVCX-FKWRGXTGSA-N. The full InChI is InChI=1S/C20H36O5/c1-8-16-18(11(3)10(2)14(6)22-16)25-20-13(5)12(4)19-17(24-20)9-21-15(7)23-19/h10-20H,8-9H2,1-7H3/t10?,11-,12-,13?,14+,15?,16?,17?,18-,19-,20+/m1/s1.
What are the key properties of (6R,8R,8aR)-6-[(3R,4R,6S)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-2,7,8-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine?
(6R,8R,8aR)-6-[(3R,4R,6S)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-2,7,8-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine has a molecular weight of 356.50 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,8R,8aR)-6-[(3R,4R,6S)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-2,7,8-trimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine is sourced from PubChem (CID 59042859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).