3-(2,2-dimethylpropyl)oxane

C10H20O — CID 21056551

IUPAC3-(2,2-dimethylpropyl)oxane
SMILESCC(C)(C)CC1CCCOC1
InChIInChI=1S/C10H20O/c1-10(2,3)7-9-5-4-6-11-8-9/h9H,4-8H2,1-3H3
InChIKeyGJKVSBVIBZWVSY-UHFFFAOYSA-N
MW156.27 g/mol
LogP2.85
Rot. Bonds1

About 3-(2,2-dimethylpropyl)oxane

3-(2,2-dimethylpropyl)oxane (PubChem CID 21056551) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)oxane.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)oxane
PubChem CID21056551
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name3-(2,2-dimethylpropyl)oxane
SMILESCC(C)(C)CC1CCCOC1
InChIInChI=1S/C10H20O/c1-10(2,3)7-9-5-4-6-11-8-9/h9H,4-8H2,1-3H3
InChIKeyGJKVSBVIBZWVSY-UHFFFAOYSA-N
XLogP2.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)oxane?
The IUPAC name of 3-(2,2-dimethylpropyl)oxane (CID 21056551) is 3-(2,2-dimethylpropyl)oxane.
What is the SMILES notation for 3-(2,2-dimethylpropyl)oxane?
The canonical SMILES for 3-(2,2-dimethylpropyl)oxane is CC(C)(C)CC1CCCOC1.
What is the InChIKey of 3-(2,2-dimethylpropyl)oxane?
The InChIKey is GJKVSBVIBZWVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-10(2,3)7-9-5-4-6-11-8-9/h9H,4-8H2,1-3H3.
What are the key properties of 3-(2,2-dimethylpropyl)oxane?
3-(2,2-dimethylpropyl)oxane has a molecular weight of 156.27 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)oxane is sourced from PubChem (CID 21056551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).