2,2-dimethyl-1-propan-2-yloxypropane

C8H18O — CID 15646847

IUPAC2,2-dimethyl-1-propan-2-yloxypropane
SMILESCC(C)OCC(C)(C)C
InChIInChI=1S/C8H18O/c1-7(2)9-6-8(3,4)5/h7H,6H2,1-5H3
InChIKeyLHUUCXXIUDYTQX-UHFFFAOYSA-N
MW130.23 g/mol
LogP2.46
Rot. Bonds2

About 2,2-dimethyl-1-propan-2-yloxypropane

2,2-dimethyl-1-propan-2-yloxypropane (PubChem CID 15646847) has the molecular formula C8H18O and a molecular weight of 130.23 g/mol. Its IUPAC name is 2,2-dimethyl-1-propan-2-yloxypropane.

Molecular Properties

Compound Name2,2-dimethyl-1-propan-2-yloxypropane
PubChem CID15646847
Molecular FormulaC8H18O
Molecular Weight130.23 g/mol
Exact Mass130.14
IUPAC Name2,2-dimethyl-1-propan-2-yloxypropane
SMILESCC(C)OCC(C)(C)C
InChIInChI=1S/C8H18O/c1-7(2)9-6-8(3,4)5/h7H,6H2,1-5H3
InChIKeyLHUUCXXIUDYTQX-UHFFFAOYSA-N
XLogP2.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.23
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-propan-2-yloxypropane?
The IUPAC name of 2,2-dimethyl-1-propan-2-yloxypropane (CID 15646847) is 2,2-dimethyl-1-propan-2-yloxypropane.
What is the SMILES notation for 2,2-dimethyl-1-propan-2-yloxypropane?
The canonical SMILES for 2,2-dimethyl-1-propan-2-yloxypropane is CC(C)OCC(C)(C)C.
What is the InChIKey of 2,2-dimethyl-1-propan-2-yloxypropane?
The InChIKey is LHUUCXXIUDYTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O/c1-7(2)9-6-8(3,4)5/h7H,6H2,1-5H3.
What are the key properties of 2,2-dimethyl-1-propan-2-yloxypropane?
2,2-dimethyl-1-propan-2-yloxypropane has a molecular weight of 130.23 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-propan-2-yloxypropane is sourced from PubChem (CID 15646847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).