(4aR,8aS)-6-methyl-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxine

C8H12O3 — CID 143081099

IUPAC(4aR,8aS)-6-methyl-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxine
SMILESCC1C=C[C@@H]2OCOC[C@H]2O1
InChIInChI=1S/C8H12O3/c1-6-2-3-7-8(11-6)4-9-5-10-7/h2-3,6-8H,4-5H2,1H3/t6?,7-,8+/m0/s1
InChIKeyOPOPLLOISIGQGB-ZHFSPANRSA-N
MW156.18 g/mol
LogP0.70
Rot. Bonds

About (4aR,8aS)-6-methyl-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxine

(4aR,8aS)-6-methyl-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxine (PubChem CID 143081099) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is (4aR,8aS)-6-methyl-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxine.

Molecular Properties

Compound Name(4aR,8aS)-6-methyl-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxine
PubChem CID143081099
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name(4aR,8aS)-6-methyl-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxine
SMILESCC1C=C[C@@H]2OCOC[C@H]2O1
InChIInChI=1S/C8H12O3/c1-6-2-3-7-8(11-6)4-9-5-10-7/h2-3,6-8H,4-5H2,1H3/t6?,7-,8+/m0/s1
InChIKeyOPOPLLOISIGQGB-ZHFSPANRSA-N
XLogP0.70
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4aR,8aS)-6-methyl-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxine?
The IUPAC name of (4aR,8aS)-6-methyl-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxine (CID 143081099) is (4aR,8aS)-6-methyl-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxine.
What is the SMILES notation for (4aR,8aS)-6-methyl-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxine?
The canonical SMILES for (4aR,8aS)-6-methyl-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxine is CC1C=C[C@@H]2OCOC[C@H]2O1.
What is the InChIKey of (4aR,8aS)-6-methyl-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxine?
The InChIKey is OPOPLLOISIGQGB-ZHFSPANRSA-N. The full InChI is InChI=1S/C8H12O3/c1-6-2-3-7-8(11-6)4-9-5-10-7/h2-3,6-8H,4-5H2,1H3/t6?,7-,8+/m0/s1.
What are the key properties of (4aR,8aS)-6-methyl-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxine?
(4aR,8aS)-6-methyl-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxine has a molecular weight of 156.18 g/mol, XLogP of 0.70, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,8aS)-6-methyl-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3]dioxine is sourced from PubChem (CID 143081099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).