1-(2,6-dimethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)ethane-1,2-diol

C10H18O6 — CID 3617170

IUPAC1-(2,6-dimethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)ethane-1,2-diol
SMILESCC1OC2COC(C)OC2C(C(O)CO)O1
InChIInChI=1S/C10H18O6/c1-5-13-4-8-10(15-5)9(7(12)3-11)16-6(2)14-8/h5-12H,3-4H2,1-2H3
InChIKeyGFJLQNXYQFWXMV-UHFFFAOYSA-N
MW234.25 g/mol
LogP-0.77
Rot. Bonds2

About 1-(2,6-dimethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)ethane-1,2-diol

1-(2,6-dimethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)ethane-1,2-diol (PubChem CID 3617170) has the molecular formula C10H18O6 and a molecular weight of 234.25 g/mol. Its IUPAC name is 1-(2,6-dimethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)ethane-1,2-diol.

Molecular Properties

Compound Name1-(2,6-dimethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)ethane-1,2-diol
PubChem CID3617170
Molecular FormulaC10H18O6
Molecular Weight234.25 g/mol
Exact Mass234.11
IUPAC Name1-(2,6-dimethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)ethane-1,2-diol
SMILESCC1OC2COC(C)OC2C(C(O)CO)O1
InChIInChI=1S/C10H18O6/c1-5-13-4-8-10(15-5)9(7(12)3-11)16-6(2)14-8/h5-12H,3-4H2,1-2H3
InChIKeyGFJLQNXYQFWXMV-UHFFFAOYSA-N
XLogP-0.77
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)ethane-1,2-diol?
The IUPAC name of 1-(2,6-dimethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)ethane-1,2-diol (CID 3617170) is 1-(2,6-dimethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)ethane-1,2-diol.
What is the SMILES notation for 1-(2,6-dimethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)ethane-1,2-diol?
The canonical SMILES for 1-(2,6-dimethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)ethane-1,2-diol is CC1OC2COC(C)OC2C(C(O)CO)O1.
What is the InChIKey of 1-(2,6-dimethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)ethane-1,2-diol?
The InChIKey is GFJLQNXYQFWXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O6/c1-5-13-4-8-10(15-5)9(7(12)3-11)16-6(2)14-8/h5-12H,3-4H2,1-2H3.
What are the key properties of 1-(2,6-dimethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)ethane-1,2-diol?
1-(2,6-dimethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)ethane-1,2-diol has a molecular weight of 234.25 g/mol, XLogP of -0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)ethane-1,2-diol is sourced from PubChem (CID 3617170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).