2,2,5-trimethyl-5-propan-2-yloxane

C11H22O — CID 134573916

IUPAC2,2,5-trimethyl-5-propan-2-yloxane
SMILESCC(C)C1(C)CCC(C)(C)OC1
InChIInChI=1S/C11H22O/c1-9(2)11(5)7-6-10(3,4)12-8-11/h9H,6-8H2,1-5H3
InChIKeyPGAFHSBZVXLFAI-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.24
Rot. Bonds1

About 2,2,5-trimethyl-5-propan-2-yloxane

2,2,5-trimethyl-5-propan-2-yloxane (PubChem CID 134573916) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 2,2,5-trimethyl-5-propan-2-yloxane.

Molecular Properties

Compound Name2,2,5-trimethyl-5-propan-2-yloxane
PubChem CID134573916
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name2,2,5-trimethyl-5-propan-2-yloxane
SMILESCC(C)C1(C)CCC(C)(C)OC1
InChIInChI=1S/C11H22O/c1-9(2)11(5)7-6-10(3,4)12-8-11/h9H,6-8H2,1-5H3
InChIKeyPGAFHSBZVXLFAI-UHFFFAOYSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,5-trimethyl-5-propan-2-yloxane?
The IUPAC name of 2,2,5-trimethyl-5-propan-2-yloxane (CID 134573916) is 2,2,5-trimethyl-5-propan-2-yloxane.
What is the SMILES notation for 2,2,5-trimethyl-5-propan-2-yloxane?
The canonical SMILES for 2,2,5-trimethyl-5-propan-2-yloxane is CC(C)C1(C)CCC(C)(C)OC1.
What is the InChIKey of 2,2,5-trimethyl-5-propan-2-yloxane?
The InChIKey is PGAFHSBZVXLFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-9(2)11(5)7-6-10(3,4)12-8-11/h9H,6-8H2,1-5H3.
What are the key properties of 2,2,5-trimethyl-5-propan-2-yloxane?
2,2,5-trimethyl-5-propan-2-yloxane has a molecular weight of 170.30 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5-trimethyl-5-propan-2-yloxane is sourced from PubChem (CID 134573916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).