2,2-dimethyl-1-propan-2-yloxypropane;3-propan-2-yloxypentane;2-propan-2-yloxypropane

C22H50O3 — CID 160593936

IUPAC2,2-dimethyl-1-propan-2-yloxypropane;3-propan-2-yloxypentane;2-propan-2-yloxypropane
SMILESCC(C)OC(C)C.CC(C)OCC(C)(C)C.CCC(CC)OC(C)C
InChIInChI=1S/2C8H18O.C6H14O/c1-7(2)9-6-8(3,4)5;1-5-8(6-2)9-7(3)4;1-5(2)7-6(3)4/h7H,6H2,1-5H3;7-8H,5-6H2,1-4H3;5-6H,1-4H3
InChIKeyRDJOYYOHWFCBSP-UHFFFAOYSA-N
MW362.64 g/mol
LogP6.88
Rot. Bonds8

About 2,2-dimethyl-1-propan-2-yloxypropane;3-propan-2-yloxypentane;2-propan-2-yloxypropane

2,2-dimethyl-1-propan-2-yloxypropane;3-propan-2-yloxypentane;2-propan-2-yloxypropane (PubChem CID 160593936) has the molecular formula C22H50O3 and a molecular weight of 362.64 g/mol. Its IUPAC name is 2,2-dimethyl-1-propan-2-yloxypropane;3-propan-2-yloxypentane;2-propan-2-yloxypropane.

Molecular Properties

Compound Name2,2-dimethyl-1-propan-2-yloxypropane;3-propan-2-yloxypentane;2-propan-2-yloxypropane
PubChem CID160593936
Molecular FormulaC22H50O3
Molecular Weight362.64 g/mol
Exact Mass362.38
IUPAC Name2,2-dimethyl-1-propan-2-yloxypropane;3-propan-2-yloxypentane;2-propan-2-yloxypropane
SMILESCC(C)OC(C)C.CC(C)OCC(C)(C)C.CCC(CC)OC(C)C
InChIInChI=1S/2C8H18O.C6H14O/c1-7(2)9-6-8(3,4)5;1-5-8(6-2)9-7(3)4;1-5(2)7-6(3)4/h7H,6H2,1-5H3;7-8H,5-6H2,1-4H3;5-6H,1-4H3
InChIKeyRDJOYYOHWFCBSP-UHFFFAOYSA-N
XLogP6.88
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.64
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-propan-2-yloxypropane;3-propan-2-yloxypentane;2-propan-2-yloxypropane?
The IUPAC name of 2,2-dimethyl-1-propan-2-yloxypropane;3-propan-2-yloxypentane;2-propan-2-yloxypropane (CID 160593936) is 2,2-dimethyl-1-propan-2-yloxypropane;3-propan-2-yloxypentane;2-propan-2-yloxypropane.
What is the SMILES notation for 2,2-dimethyl-1-propan-2-yloxypropane;3-propan-2-yloxypentane;2-propan-2-yloxypropane?
The canonical SMILES for 2,2-dimethyl-1-propan-2-yloxypropane;3-propan-2-yloxypentane;2-propan-2-yloxypropane is CC(C)OC(C)C.CC(C)OCC(C)(C)C.CCC(CC)OC(C)C.
What is the InChIKey of 2,2-dimethyl-1-propan-2-yloxypropane;3-propan-2-yloxypentane;2-propan-2-yloxypropane?
The InChIKey is RDJOYYOHWFCBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H18O.C6H14O/c1-7(2)9-6-8(3,4)5;1-5-8(6-2)9-7(3)4;1-5(2)7-6(3)4/h7H,6H2,1-5H3;7-8H,5-6H2,1-4H3;5-6H,1-4H3.
What are the key properties of 2,2-dimethyl-1-propan-2-yloxypropane;3-propan-2-yloxypentane;2-propan-2-yloxypropane?
2,2-dimethyl-1-propan-2-yloxypropane;3-propan-2-yloxypentane;2-propan-2-yloxypropane has a molecular weight of 362.64 g/mol, XLogP of 6.88, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-propan-2-yloxypropane;3-propan-2-yloxypentane;2-propan-2-yloxypropane is sourced from PubChem (CID 160593936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).