2-[5-(2-hydroxypropan-2-yl)-2,5-dimethoxy-3,6-dimethyl-1,4-dioxan-2-yl]propan-2-ol

C14H28O6 — CID 138738690

IUPAC2-[5-(2-hydroxypropan-2-yl)-2,5-dimethoxy-3,6-dimethyl-1,4-dioxan-2-yl]propan-2-ol
SMILESCOC1(C(C)(C)O)OC(C)C(OC)(C(C)(C)O)OC1C
InChIInChI=1S/C14H28O6/c1-9-13(17-7,11(3,4)15)20-10(2)14(18-8,19-9)12(5,6)16/h9-10,15-16H,1-8H3
InChIKeyPKYMKSILVKRINQ-UHFFFAOYSA-N
MW292.37 g/mol
LogP1.04
Rot. Bonds4

About 2-[5-(2-hydroxypropan-2-yl)-2,5-dimethoxy-3,6-dimethyl-1,4-dioxan-2-yl]propan-2-ol

2-[5-(2-hydroxypropan-2-yl)-2,5-dimethoxy-3,6-dimethyl-1,4-dioxan-2-yl]propan-2-ol (PubChem CID 138738690) has the molecular formula C14H28O6 and a molecular weight of 292.37 g/mol. Its IUPAC name is 2-[5-(2-hydroxypropan-2-yl)-2,5-dimethoxy-3,6-dimethyl-1,4-dioxan-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[5-(2-hydroxypropan-2-yl)-2,5-dimethoxy-3,6-dimethyl-1,4-dioxan-2-yl]propan-2-ol
PubChem CID138738690
Molecular FormulaC14H28O6
Molecular Weight292.37 g/mol
Exact Mass292.19
IUPAC Name2-[5-(2-hydroxypropan-2-yl)-2,5-dimethoxy-3,6-dimethyl-1,4-dioxan-2-yl]propan-2-ol
SMILESCOC1(C(C)(C)O)OC(C)C(OC)(C(C)(C)O)OC1C
InChIInChI=1S/C14H28O6/c1-9-13(17-7,11(3,4)15)20-10(2)14(18-8,19-9)12(5,6)16/h9-10,15-16H,1-8H3
InChIKeyPKYMKSILVKRINQ-UHFFFAOYSA-N
XLogP1.04
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-hydroxypropan-2-yl)-2,5-dimethoxy-3,6-dimethyl-1,4-dioxan-2-yl]propan-2-ol?
The IUPAC name of 2-[5-(2-hydroxypropan-2-yl)-2,5-dimethoxy-3,6-dimethyl-1,4-dioxan-2-yl]propan-2-ol (CID 138738690) is 2-[5-(2-hydroxypropan-2-yl)-2,5-dimethoxy-3,6-dimethyl-1,4-dioxan-2-yl]propan-2-ol.
What is the SMILES notation for 2-[5-(2-hydroxypropan-2-yl)-2,5-dimethoxy-3,6-dimethyl-1,4-dioxan-2-yl]propan-2-ol?
The canonical SMILES for 2-[5-(2-hydroxypropan-2-yl)-2,5-dimethoxy-3,6-dimethyl-1,4-dioxan-2-yl]propan-2-ol is COC1(C(C)(C)O)OC(C)C(OC)(C(C)(C)O)OC1C.
What is the InChIKey of 2-[5-(2-hydroxypropan-2-yl)-2,5-dimethoxy-3,6-dimethyl-1,4-dioxan-2-yl]propan-2-ol?
The InChIKey is PKYMKSILVKRINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O6/c1-9-13(17-7,11(3,4)15)20-10(2)14(18-8,19-9)12(5,6)16/h9-10,15-16H,1-8H3.
What are the key properties of 2-[5-(2-hydroxypropan-2-yl)-2,5-dimethoxy-3,6-dimethyl-1,4-dioxan-2-yl]propan-2-ol?
2-[5-(2-hydroxypropan-2-yl)-2,5-dimethoxy-3,6-dimethyl-1,4-dioxan-2-yl]propan-2-ol has a molecular weight of 292.37 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-hydroxypropan-2-yl)-2,5-dimethoxy-3,6-dimethyl-1,4-dioxan-2-yl]propan-2-ol is sourced from PubChem (CID 138738690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).