2,5-dimethyl-5-(1-propan-2-yloxyethyl)-1,3-dioxane

C11H22O3 — CID 29436

IUPAC2,5-dimethyl-5-(1-propan-2-yloxyethyl)-1,3-dioxane
SMILESCC(C)OC(C)C1(C)COC(C)OC1
InChIInChI=1S/C11H22O3/c1-8(2)14-9(3)11(5)6-12-10(4)13-7-11/h8-10H,6-7H2,1-5H3
InChIKeyPNLAHFVUUHRTLK-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.20
Rot. Bonds3

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

2,5-dimethyl-5-(1-propan-2-yloxyethyl)-1,3-dioxane (PubChem CID 29436) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 2,5-dimethyl-5-(1-propan-2-yloxyethyl)-1,3-dioxane.

Molecular Properties

Compound Name2,5-dimethyl-5-(1-propan-2-yloxyethyl)-1,3-dioxane
PubChem CID29436
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name2,5-dimethyl-5-(1-propan-2-yloxyethyl)-1,3-dioxane
SMILESCC(C)OC(C)C1(C)COC(C)OC1
InChIInChI=1S/C11H22O3/c1-8(2)14-9(3)11(5)6-12-10(4)13-7-11/h8-10H,6-7H2,1-5H3
InChIKeyPNLAHFVUUHRTLK-UHFFFAOYSA-N
XLogP2.20
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-5-(1-propan-2-yloxyethyl)-1,3-dioxane?
The IUPAC name of 2,5-dimethyl-5-(1-propan-2-yloxyethyl)-1,3-dioxane (CID 29436) is 2,5-dimethyl-5-(1-propan-2-yloxyethyl)-1,3-dioxane.
What is the SMILES notation for 2,5-dimethyl-5-(1-propan-2-yloxyethyl)-1,3-dioxane?
The canonical SMILES for 2,5-dimethyl-5-(1-propan-2-yloxyethyl)-1,3-dioxane is CC(C)OC(C)C1(C)COC(C)OC1.
What is the InChIKey of 2,5-dimethyl-5-(1-propan-2-yloxyethyl)-1,3-dioxane?
The InChIKey is PNLAHFVUUHRTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-8(2)14-9(3)11(5)6-12-10(4)13-7-11/h8-10H,6-7H2,1-5H3.
What are the key properties of 2,5-dimethyl-5-(1-propan-2-yloxyethyl)-1,3-dioxane?
2,5-dimethyl-5-(1-propan-2-yloxyethyl)-1,3-dioxane has a molecular weight of 202.29 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-5-(1-propan-2-yloxyethyl)-1,3-dioxane is sourced from PubChem (CID 29436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).