2,2-dibutyloxolane

C12H24O — CID 11735569

IUPAC2,2-dibutyloxolane
SMILESCCCCC1(CCCC)CCCO1
InChIInChI=1S/C12H24O/c1-3-5-8-12(9-6-4-2)10-7-11-13-12/h3-11H2,1-2H3
InChIKeyHAJZDAYBXDYFKH-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.92
Rot. Bonds6

About 2,2-dibutyloxolane

2,2-dibutyloxolane (PubChem CID 11735569) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 2,2-dibutyloxolane.

Molecular Properties

Compound Name2,2-dibutyloxolane
PubChem CID11735569
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name2,2-dibutyloxolane
SMILESCCCCC1(CCCC)CCCO1
InChIInChI=1S/C12H24O/c1-3-5-8-12(9-6-4-2)10-7-11-13-12/h3-11H2,1-2H3
InChIKeyHAJZDAYBXDYFKH-UHFFFAOYSA-N
XLogP3.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dibutyloxolane?
The IUPAC name of 2,2-dibutyloxolane (CID 11735569) is 2,2-dibutyloxolane.
What is the SMILES notation for 2,2-dibutyloxolane?
The canonical SMILES for 2,2-dibutyloxolane is CCCCC1(CCCC)CCCO1.
What is the InChIKey of 2,2-dibutyloxolane?
The InChIKey is HAJZDAYBXDYFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-3-5-8-12(9-6-4-2)10-7-11-13-12/h3-11H2,1-2H3.
What are the key properties of 2,2-dibutyloxolane?
2,2-dibutyloxolane has a molecular weight of 184.32 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dibutyloxolane is sourced from PubChem (CID 11735569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).