2-propan-2-yl-5-propyl-1,3-dioxane

C10H20O2 — CID 29627

IUPAC2-propan-2-yl-5-propyl-1,3-dioxane
SMILESCCCC1COC(C(C)C)OC1
InChIInChI=1S/C10H20O2/c1-4-5-9-6-11-10(8(2)3)12-7-9/h8-10H,4-7H2,1-3H3
InChIKeyWESQGUFEFTXRLG-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.43
Rot. Bonds3

About 2-propan-2-yl-5-propyl-1,3-dioxane

2-propan-2-yl-5-propyl-1,3-dioxane (PubChem CID 29627) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-propan-2-yl-5-propyl-1,3-dioxane.

Molecular Properties

Compound Name2-propan-2-yl-5-propyl-1,3-dioxane
PubChem CID29627
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name2-propan-2-yl-5-propyl-1,3-dioxane
SMILESCCCC1COC(C(C)C)OC1
InChIInChI=1S/C10H20O2/c1-4-5-9-6-11-10(8(2)3)12-7-9/h8-10H,4-7H2,1-3H3
InChIKeyWESQGUFEFTXRLG-UHFFFAOYSA-N
XLogP2.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-Dioxane, 2-butyl-4,4,6-trimethyl-
CID 94569
1,3-Dioxane, 5-methyl-2-(1-methylbutyl)-5-propyl-
CID 166523
2,4,6-Triisobutyl-1,3,5-trioxane
CID 198512
Tetrahydro-2-(2-methylpropoxy)-2H-pyran
CID 98296
1,3-Dioxane, 5-methyl-2-(2-methylpropyl)-, cis-
CID 23513560
2H-Pyran, tetrahydro-2-ethoxy-4-methyl-
CID 33152
1,3-Dioxane, 4,4-dimethyl-2-(2-methylpropyl)-
CID 12241254
2-Methyl-5-propyl-1,3-dioxane
CID 31464
5-Hexyl-2-methyl-1,3-dioxane
CID 31465
1,3-Dioxane, 4,4,6-trimethyl-2-pentyl-
CID 95613
2,4,4,6-Tetramethyl-1,3-dioxane
CID 12378498
1,3-Dioxane, 5,5-dimethyl-2,4-bis(1-methylethyl)-
CID 107113

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-propyl-1,3-dioxane?
The IUPAC name of 2-propan-2-yl-5-propyl-1,3-dioxane (CID 29627) is 2-propan-2-yl-5-propyl-1,3-dioxane.
What is the SMILES notation for 2-propan-2-yl-5-propyl-1,3-dioxane?
The canonical SMILES for 2-propan-2-yl-5-propyl-1,3-dioxane is CCCC1COC(C(C)C)OC1.
What is the InChIKey of 2-propan-2-yl-5-propyl-1,3-dioxane?
The InChIKey is WESQGUFEFTXRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-4-5-9-6-11-10(8(2)3)12-7-9/h8-10H,4-7H2,1-3H3.
What are the key properties of 2-propan-2-yl-5-propyl-1,3-dioxane?
2-propan-2-yl-5-propyl-1,3-dioxane has a molecular weight of 172.27 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-propyl-1,3-dioxane is sourced from PubChem (CID 29627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).