2-methyl-5-(1-propan-2-yloxyethyl)-5-propyl-1,3-dioxane

C13H26O3 — CID 29628

IUPAC2-methyl-5-(1-propan-2-yloxyethyl)-5-propyl-1,3-dioxane
SMILESCCCC1(C(C)OC(C)C)COC(C)OC1
InChIInChI=1S/C13H26O3/c1-6-7-13(11(4)16-10(2)3)8-14-12(5)15-9-13/h10-12H,6-9H2,1-5H3
InChIKeyYPZUJHGPKMAZLO-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.98
Rot. Bonds5

About 2-methyl-5-(1-propan-2-yloxyethyl)-5-propyl-1,3-dioxane

2-methyl-5-(1-propan-2-yloxyethyl)-5-propyl-1,3-dioxane (PubChem CID 29628) has the molecular formula C13H26O3 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-methyl-5-(1-propan-2-yloxyethyl)-5-propyl-1,3-dioxane.

Molecular Properties

Compound Name2-methyl-5-(1-propan-2-yloxyethyl)-5-propyl-1,3-dioxane
PubChem CID29628
Molecular FormulaC13H26O3
Molecular Weight230.35 g/mol
Exact Mass230.19
IUPAC Name2-methyl-5-(1-propan-2-yloxyethyl)-5-propyl-1,3-dioxane
SMILESCCCC1(C(C)OC(C)C)COC(C)OC1
InChIInChI=1S/C13H26O3/c1-6-7-13(11(4)16-10(2)3)8-14-12(5)15-9-13/h10-12H,6-9H2,1-5H3
InChIKeyYPZUJHGPKMAZLO-UHFFFAOYSA-N
XLogP2.98
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(1-propan-2-yloxyethyl)-5-propyl-1,3-dioxane?
The IUPAC name of 2-methyl-5-(1-propan-2-yloxyethyl)-5-propyl-1,3-dioxane (CID 29628) is 2-methyl-5-(1-propan-2-yloxyethyl)-5-propyl-1,3-dioxane.
What is the SMILES notation for 2-methyl-5-(1-propan-2-yloxyethyl)-5-propyl-1,3-dioxane?
The canonical SMILES for 2-methyl-5-(1-propan-2-yloxyethyl)-5-propyl-1,3-dioxane is CCCC1(C(C)OC(C)C)COC(C)OC1.
What is the InChIKey of 2-methyl-5-(1-propan-2-yloxyethyl)-5-propyl-1,3-dioxane?
The InChIKey is YPZUJHGPKMAZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3/c1-6-7-13(11(4)16-10(2)3)8-14-12(5)15-9-13/h10-12H,6-9H2,1-5H3.
What are the key properties of 2-methyl-5-(1-propan-2-yloxyethyl)-5-propyl-1,3-dioxane?
2-methyl-5-(1-propan-2-yloxyethyl)-5-propyl-1,3-dioxane has a molecular weight of 230.35 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(1-propan-2-yloxyethyl)-5-propyl-1,3-dioxane is sourced from PubChem (CID 29628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).