1-propan-2-yloxypropane

C6H14O — CID 12304

IUPAC1-propan-2-yloxypropane
SMILESCCCOC(C)C
InChIInChI=1S/C6H14O/c1-4-5-7-6(2)3/h6H,4-5H2,1-3H3
InChIKeyJIEJJGMNDWIGBJ-UHFFFAOYSA-N
MW102.18 g/mol
LogP1.82
Rot. Bonds3

About 1-propan-2-yloxypropane

1-propan-2-yloxypropane (PubChem CID 12304) has the molecular formula C6H14O and a molecular weight of 102.18 g/mol. Its IUPAC name is 1-propan-2-yloxypropane.

Molecular Properties

Compound Name1-propan-2-yloxypropane
PubChem CID12304
Molecular FormulaC6H14O
Molecular Weight102.18 g/mol
Exact Mass102.10
IUPAC Name1-propan-2-yloxypropane
SMILESCCCOC(C)C
InChIInChI=1S/C6H14O/c1-4-5-7-6(2)3/h6H,4-5H2,1-3H3
InChIKeyJIEJJGMNDWIGBJ-UHFFFAOYSA-N
XLogP1.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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

Diisopropyl Ether
CID 7914
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
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 1-propan-2-yloxypropane?
The IUPAC name of 1-propan-2-yloxypropane (CID 12304) is 1-propan-2-yloxypropane.
What is the SMILES notation for 1-propan-2-yloxypropane?
The canonical SMILES for 1-propan-2-yloxypropane is CCCOC(C)C.
What is the InChIKey of 1-propan-2-yloxypropane?
The InChIKey is JIEJJGMNDWIGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O/c1-4-5-7-6(2)3/h6H,4-5H2,1-3H3.
What are the key properties of 1-propan-2-yloxypropane?
1-propan-2-yloxypropane has a molecular weight of 102.18 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yloxypropane is sourced from PubChem (CID 12304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).