2,2-dibutyl-1,3-dioxolane

C11H22O2 — CID 11298384

IUPAC2,2-dibutyl-1,3-dioxolane
SMILESCCCCC1(CCCC)OCCO1
InChIInChI=1S/C11H22O2/c1-3-5-7-11(8-6-4-2)12-9-10-13-11/h3-10H2,1-2H3
InChIKeyAYLMGBFOFWIFKO-UHFFFAOYSA-N
MW186.29 g/mol
LogP3.11
Rot. Bonds6

About 2,2-dibutyl-1,3-dioxolane

2,2-dibutyl-1,3-dioxolane (PubChem CID 11298384) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 2,2-dibutyl-1,3-dioxolane.

Molecular Properties

Compound Name2,2-dibutyl-1,3-dioxolane
PubChem CID11298384
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name2,2-dibutyl-1,3-dioxolane
SMILESCCCCC1(CCCC)OCCO1
InChIInChI=1S/C11H22O2/c1-3-5-7-11(8-6-4-2)12-9-10-13-11/h3-10H2,1-2H3
InChIKeyAYLMGBFOFWIFKO-UHFFFAOYSA-N
XLogP3.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dibutyl-1,3-dioxolane?
The IUPAC name of 2,2-dibutyl-1,3-dioxolane (CID 11298384) is 2,2-dibutyl-1,3-dioxolane.
What is the SMILES notation for 2,2-dibutyl-1,3-dioxolane?
The canonical SMILES for 2,2-dibutyl-1,3-dioxolane is CCCCC1(CCCC)OCCO1.
What is the InChIKey of 2,2-dibutyl-1,3-dioxolane?
The InChIKey is AYLMGBFOFWIFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-3-5-7-11(8-6-4-2)12-9-10-13-11/h3-10H2,1-2H3.
What are the key properties of 2,2-dibutyl-1,3-dioxolane?
2,2-dibutyl-1,3-dioxolane has a molecular weight of 186.29 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dibutyl-1,3-dioxolane is sourced from PubChem (CID 11298384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).