5-(cyclobutylmethyl)-2,2-dimethyl-1,3-dioxane

C11H20O2 — CID 170618817

IUPAC5-(cyclobutylmethyl)-2,2-dimethyl-1,3-dioxane
SMILESCC1(C)OCC(CC2CCC2)CO1
InChIInChI=1S/C11H20O2/c1-11(2)12-7-10(8-13-11)6-9-4-3-5-9/h9-10H,3-8H2,1-2H3
InChIKeyBVIBSIILFJOMIT-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.58
Rot. Bonds2

About 5-(cyclobutylmethyl)-2,2-dimethyl-1,3-dioxane

5-(cyclobutylmethyl)-2,2-dimethyl-1,3-dioxane (PubChem CID 170618817) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 5-(cyclobutylmethyl)-2,2-dimethyl-1,3-dioxane.

Molecular Properties

Compound Name5-(cyclobutylmethyl)-2,2-dimethyl-1,3-dioxane
PubChem CID170618817
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name5-(cyclobutylmethyl)-2,2-dimethyl-1,3-dioxane
SMILESCC1(C)OCC(CC2CCC2)CO1
InChIInChI=1S/C11H20O2/c1-11(2)12-7-10(8-13-11)6-9-4-3-5-9/h9-10H,3-8H2,1-2H3
InChIKeyBVIBSIILFJOMIT-UHFFFAOYSA-N
XLogP2.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclobutylmethyl)-2,2-dimethyl-1,3-dioxane?
The IUPAC name of 5-(cyclobutylmethyl)-2,2-dimethyl-1,3-dioxane (CID 170618817) is 5-(cyclobutylmethyl)-2,2-dimethyl-1,3-dioxane.
What is the SMILES notation for 5-(cyclobutylmethyl)-2,2-dimethyl-1,3-dioxane?
The canonical SMILES for 5-(cyclobutylmethyl)-2,2-dimethyl-1,3-dioxane is CC1(C)OCC(CC2CCC2)CO1.
What is the InChIKey of 5-(cyclobutylmethyl)-2,2-dimethyl-1,3-dioxane?
The InChIKey is BVIBSIILFJOMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-11(2)12-7-10(8-13-11)6-9-4-3-5-9/h9-10H,3-8H2,1-2H3.
What are the key properties of 5-(cyclobutylmethyl)-2,2-dimethyl-1,3-dioxane?
5-(cyclobutylmethyl)-2,2-dimethyl-1,3-dioxane has a molecular weight of 184.28 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclobutylmethyl)-2,2-dimethyl-1,3-dioxane is sourced from PubChem (CID 170618817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).