2-propan-2-yloxypropane

C6H14O — CID 7914

IUPAC2-propan-2-yloxypropane
SMILESCC(C)OC(C)C
InChIInChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3
InChIKeyZAFNJMIOTHYJRJ-UHFFFAOYSA-N
MW102.18 g/mol
LogP1.82
Rot. Bonds2

About 2-propan-2-yloxypropane

2-propan-2-yloxypropane (PubChem CID 7914) has the molecular formula C6H14O and a molecular weight of 102.18 g/mol. Its IUPAC name is 2-propan-2-yloxypropane.

Molecular Properties

Compound Name2-propan-2-yloxypropane
PubChem CID7914
Molecular FormulaC6H14O
Molecular Weight102.18 g/mol
Exact Mass102.10
IUPAC Name2-propan-2-yloxypropane
SMILESCC(C)OC(C)C
InChIInChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3
InChIKeyZAFNJMIOTHYJRJ-UHFFFAOYSA-N
XLogP1.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.18
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Ethyl tert-butyl ether
CID 12512
Propyl ether
CID 8114
2-Ethoxybutane
CID 17586
Bis(2-butyl) ether
CID 23294
2-Butylene oxide
CID 18632
2-Methyloxetane
CID 16565
Ethyl isopropyl ether
CID 12256
Propane, 1-(1-methylethoxy)-
CID 12304
trans-2,3-Dimethyloxirane
CID 30664
cis-2,3-Epoxybutane
CID 92162
2-Methoxypropane
CID 11721
Ethyl propyl ether
CID 12340

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxypropane?
The IUPAC name of 2-propan-2-yloxypropane (CID 7914) is 2-propan-2-yloxypropane.
What is the SMILES notation for 2-propan-2-yloxypropane?
The canonical SMILES for 2-propan-2-yloxypropane is CC(C)OC(C)C.
What is the InChIKey of 2-propan-2-yloxypropane?
The InChIKey is ZAFNJMIOTHYJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3.
What are the key properties of 2-propan-2-yloxypropane?
2-propan-2-yloxypropane has a molecular weight of 102.18 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxypropane is sourced from PubChem (CID 7914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).