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

C21H38O5 — CID 59042906

IUPAC(6R,8S,8aR)-6-[(2R,3S,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-2,2,7,8-tetramethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
SMILESCC[C@H]1O[C@H](C)C(C)C(C)[C@@H]1O[C@@H]1OC2COC(C)(C)O[C@@H]2[C@@H](C)C1C
InChIInChI=1S/C21H38O5/c1-9-16-18(12(3)11(2)15(6)23-16)25-20-14(5)13(4)19-17(24-20)10-22-21(7,8)26-19/h11-20H,9-10H2,1-8H3/t11?,12?,13-,14?,15+,16+,17?,18-,19+,20-/m0/s1
InChIKeySWDCNZXFMHMOKL-PUKTYUQFSA-N
MW370.53 g/mol
LogP3.99
Rot. Bonds3

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

(6R,8S,8aR)-6-[(2R,3S,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-2,2,7,8-tetramethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine (PubChem CID 59042906) has the molecular formula C21H38O5 and a molecular weight of 370.53 g/mol. Its IUPAC name is (6R,8S,8aR)-6-[(2R,3S,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-2,2,7,8-tetramethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine.

Molecular Properties

Compound Name(6R,8S,8aR)-6-[(2R,3S,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-2,2,7,8-tetramethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
PubChem CID59042906
Molecular FormulaC21H38O5
Molecular Weight370.53 g/mol
Exact Mass370.27
IUPAC Name(6R,8S,8aR)-6-[(2R,3S,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-2,2,7,8-tetramethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
SMILESCC[C@H]1O[C@H](C)C(C)C(C)[C@@H]1O[C@@H]1OC2COC(C)(C)O[C@@H]2[C@@H](C)C1C
InChIInChI=1S/C21H38O5/c1-9-16-18(12(3)11(2)15(6)23-16)25-20-14(5)13(4)19-17(24-20)10-22-21(7,8)26-19/h11-20H,9-10H2,1-8H3/t11?,12?,13-,14?,15+,16+,17?,18-,19+,20-/m0/s1
InChIKeySWDCNZXFMHMOKL-PUKTYUQFSA-N
XLogP3.99
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.53
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6R,8S,8aR)-6-[(2R,3S,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-2,2,7,8-tetramethyl-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,8S,8aR)-6-[(2R,3S,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-2,2,7,8-tetramethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine?
The IUPAC name of (6R,8S,8aR)-6-[(2R,3S,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-2,2,7,8-tetramethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine (CID 59042906) is (6R,8S,8aR)-6-[(2R,3S,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-2,2,7,8-tetramethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine.
What is the SMILES notation for (6R,8S,8aR)-6-[(2R,3S,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-2,2,7,8-tetramethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine?
The canonical SMILES for (6R,8S,8aR)-6-[(2R,3S,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-2,2,7,8-tetramethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine is CC[C@H]1O[C@H](C)C(C)C(C)[C@@H]1O[C@@H]1OC2COC(C)(C)O[C@@H]2[C@@H](C)C1C.
What is the InChIKey of (6R,8S,8aR)-6-[(2R,3S,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-2,2,7,8-tetramethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine?
The InChIKey is SWDCNZXFMHMOKL-PUKTYUQFSA-N. The full InChI is InChI=1S/C21H38O5/c1-9-16-18(12(3)11(2)15(6)23-16)25-20-14(5)13(4)19-17(24-20)10-22-21(7,8)26-19/h11-20H,9-10H2,1-8H3/t11?,12?,13-,14?,15+,16+,17?,18-,19+,20-/m0/s1.
What are the key properties of (6R,8S,8aR)-6-[(2R,3S,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-2,2,7,8-tetramethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine?
(6R,8S,8aR)-6-[(2R,3S,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-2,2,7,8-tetramethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine has a molecular weight of 370.53 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,8S,8aR)-6-[(2R,3S,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-2,2,7,8-tetramethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine is sourced from PubChem (CID 59042906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).