2-[(6,6-dimethyl-1,4-dioxan-2-yl)oxy]-4-methylpentan-1-ol

C12H24O4 — CID 130436054

IUPAC2-[(6,6-dimethyl-1,4-dioxan-2-yl)oxy]-4-methylpentan-1-ol
SMILESCC(C)CC(CO)OC1COCC(C)(C)O1
InChIInChI=1S/C12H24O4/c1-9(2)5-10(6-13)15-11-7-14-8-12(3,4)16-11/h9-11,13H,5-8H2,1-4H3
InChIKeyZJMSNXKSZJXVHE-UHFFFAOYSA-N
MW232.32 g/mol
LogP1.56
Rot. Bonds5

About 2-[(6,6-dimethyl-1,4-dioxan-2-yl)oxy]-4-methylpentan-1-ol

2-[(6,6-dimethyl-1,4-dioxan-2-yl)oxy]-4-methylpentan-1-ol (PubChem CID 130436054) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-[(6,6-dimethyl-1,4-dioxan-2-yl)oxy]-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-[(6,6-dimethyl-1,4-dioxan-2-yl)oxy]-4-methylpentan-1-ol
PubChem CID130436054
Molecular FormulaC12H24O4
Molecular Weight232.32 g/mol
Exact Mass232.17
IUPAC Name2-[(6,6-dimethyl-1,4-dioxan-2-yl)oxy]-4-methylpentan-1-ol
SMILESCC(C)CC(CO)OC1COCC(C)(C)O1
InChIInChI=1S/C12H24O4/c1-9(2)5-10(6-13)15-11-7-14-8-12(3,4)16-11/h9-11,13H,5-8H2,1-4H3
InChIKeyZJMSNXKSZJXVHE-UHFFFAOYSA-N
XLogP1.56
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6,6-dimethyl-1,4-dioxan-2-yl)oxy]-4-methylpentan-1-ol?
The IUPAC name of 2-[(6,6-dimethyl-1,4-dioxan-2-yl)oxy]-4-methylpentan-1-ol (CID 130436054) is 2-[(6,6-dimethyl-1,4-dioxan-2-yl)oxy]-4-methylpentan-1-ol.
What is the SMILES notation for 2-[(6,6-dimethyl-1,4-dioxan-2-yl)oxy]-4-methylpentan-1-ol?
The canonical SMILES for 2-[(6,6-dimethyl-1,4-dioxan-2-yl)oxy]-4-methylpentan-1-ol is CC(C)CC(CO)OC1COCC(C)(C)O1.
What is the InChIKey of 2-[(6,6-dimethyl-1,4-dioxan-2-yl)oxy]-4-methylpentan-1-ol?
The InChIKey is ZJMSNXKSZJXVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4/c1-9(2)5-10(6-13)15-11-7-14-8-12(3,4)16-11/h9-11,13H,5-8H2,1-4H3.
What are the key properties of 2-[(6,6-dimethyl-1,4-dioxan-2-yl)oxy]-4-methylpentan-1-ol?
2-[(6,6-dimethyl-1,4-dioxan-2-yl)oxy]-4-methylpentan-1-ol has a molecular weight of 232.32 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6,6-dimethyl-1,4-dioxan-2-yl)oxy]-4-methylpentan-1-ol is sourced from PubChem (CID 130436054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).