2,3-ditert-butyloxolane

C12H24O — CID 58782145

IUPAC2,3-ditert-butyloxolane
SMILESCC(C)(C)C1CCOC1C(C)(C)C
InChIInChI=1S/C12H24O/c1-11(2,3)9-7-8-13-10(9)12(4,5)6/h9-10H,7-8H2,1-6H3
InChIKeyNXUAAZGNFMSUMO-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.48
Rot. Bonds

About 2,3-ditert-butyloxolane

2,3-ditert-butyloxolane (PubChem CID 58782145) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 2,3-ditert-butyloxolane.

Molecular Properties

Compound Name2,3-ditert-butyloxolane
PubChem CID58782145
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name2,3-ditert-butyloxolane
SMILESCC(C)(C)C1CCOC1C(C)(C)C
InChIInChI=1S/C12H24O/c1-11(2,3)9-7-8-13-10(9)12(4,5)6/h9-10H,7-8H2,1-6H3
InChIKeyNXUAAZGNFMSUMO-UHFFFAOYSA-N
XLogP3.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-ditert-butyloxolane?
The IUPAC name of 2,3-ditert-butyloxolane (CID 58782145) is 2,3-ditert-butyloxolane.
What is the SMILES notation for 2,3-ditert-butyloxolane?
The canonical SMILES for 2,3-ditert-butyloxolane is CC(C)(C)C1CCOC1C(C)(C)C.
What is the InChIKey of 2,3-ditert-butyloxolane?
The InChIKey is NXUAAZGNFMSUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-11(2,3)9-7-8-13-10(9)12(4,5)6/h9-10H,7-8H2,1-6H3.
What are the key properties of 2,3-ditert-butyloxolane?
2,3-ditert-butyloxolane has a molecular weight of 184.32 g/mol, XLogP of 3.48, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-ditert-butyloxolane is sourced from PubChem (CID 58782145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).