2,7,8a-trimethyl-4a,6,7,8-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-ol

C10H18O4 — CID 21136962

IUPAC2,7,8a-trimethyl-4a,6,7,8-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-ol
SMILESCC1OCC2OCC(C)C(O)C2(C)O1
InChIInChI=1S/C10H18O4/c1-6-4-13-8-5-12-7(2)14-10(8,3)9(6)11/h6-9,11H,4-5H2,1-3H3
InChIKeyJPFKHSPIZYKXRL-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.53
Rot. Bonds

About 2,7,8a-trimethyl-4a,6,7,8-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-ol

2,7,8a-trimethyl-4a,6,7,8-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-ol (PubChem CID 21136962) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2,7,8a-trimethyl-4a,6,7,8-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-ol.

Molecular Properties

Compound Name2,7,8a-trimethyl-4a,6,7,8-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-ol
PubChem CID21136962
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name2,7,8a-trimethyl-4a,6,7,8-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-ol
SMILESCC1OCC2OCC(C)C(O)C2(C)O1
InChIInChI=1S/C10H18O4/c1-6-4-13-8-5-12-7(2)14-10(8,3)9(6)11/h6-9,11H,4-5H2,1-3H3
InChIKeyJPFKHSPIZYKXRL-UHFFFAOYSA-N
XLogP0.53
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,7,8a-trimethyl-4a,6,7,8-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-ol?
The IUPAC name of 2,7,8a-trimethyl-4a,6,7,8-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-ol (CID 21136962) is 2,7,8a-trimethyl-4a,6,7,8-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-ol.
What is the SMILES notation for 2,7,8a-trimethyl-4a,6,7,8-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-ol?
The canonical SMILES for 2,7,8a-trimethyl-4a,6,7,8-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-ol is CC1OCC2OCC(C)C(O)C2(C)O1.
What is the InChIKey of 2,7,8a-trimethyl-4a,6,7,8-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-ol?
The InChIKey is JPFKHSPIZYKXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-6-4-13-8-5-12-7(2)14-10(8,3)9(6)11/h6-9,11H,4-5H2,1-3H3.
What are the key properties of 2,7,8a-trimethyl-4a,6,7,8-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-ol?
2,7,8a-trimethyl-4a,6,7,8-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-ol has a molecular weight of 202.25 g/mol, XLogP of 0.53, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7,8a-trimethyl-4a,6,7,8-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-ol is sourced from PubChem (CID 21136962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).