3,3-dimethyl-2-propan-2-yloxolane

C9H18O — CID 534776

IUPAC3,3-dimethyl-2-propan-2-yloxolane
SMILESCC(C)C1OCCC1(C)C
InChIInChI=1S/C9H18O/c1-7(2)8-9(3,4)5-6-10-8/h7-8H,5-6H2,1-4H3
InChIKeyWMMFUEXYOSUILF-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.46
Rot. Bonds1

About 3,3-dimethyl-2-propan-2-yloxolane

3,3-dimethyl-2-propan-2-yloxolane (PubChem CID 534776) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 3,3-dimethyl-2-propan-2-yloxolane.

Molecular Properties

Compound Name3,3-dimethyl-2-propan-2-yloxolane
PubChem CID534776
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name3,3-dimethyl-2-propan-2-yloxolane
SMILESCC(C)C1OCCC1(C)C
InChIInChI=1S/C9H18O/c1-7(2)8-9(3,4)5-6-10-8/h7-8H,5-6H2,1-4H3
InChIKeyWMMFUEXYOSUILF-UHFFFAOYSA-N
XLogP2.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-propan-2-yloxolane?
The IUPAC name of 3,3-dimethyl-2-propan-2-yloxolane (CID 534776) is 3,3-dimethyl-2-propan-2-yloxolane.
What is the SMILES notation for 3,3-dimethyl-2-propan-2-yloxolane?
The canonical SMILES for 3,3-dimethyl-2-propan-2-yloxolane is CC(C)C1OCCC1(C)C.
What is the InChIKey of 3,3-dimethyl-2-propan-2-yloxolane?
The InChIKey is WMMFUEXYOSUILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-7(2)8-9(3,4)5-6-10-8/h7-8H,5-6H2,1-4H3.
What are the key properties of 3,3-dimethyl-2-propan-2-yloxolane?
3,3-dimethyl-2-propan-2-yloxolane has a molecular weight of 142.24 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-propan-2-yloxolane is sourced from PubChem (CID 534776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).