1,3-di(propan-2-yloxy)propane;methane;2-(2-propan-2-yloxyethoxy)propane

C19H46O4 — CID 157339053

IUPAC1,3-di(propan-2-yloxy)propane;methane;2-(2-propan-2-yloxyethoxy)propane
SMILESC.C.CC(C)OCCCOC(C)C.CC(C)OCCOC(C)C
InChIInChI=1S/C9H20O2.C8H18O2.2CH4/c1-8(2)10-6-5-7-11-9(3)4;1-7(2)9-5-6-10-8(3)4;;/h8-9H,5-7H2,1-4H3;7-8H,5-6H2,1-4H3;2*1H4
InChIKeyBGEJVGGJTTZRGH-UHFFFAOYSA-N
MW338.57 g/mol
LogP5.34
Rot. Bonds11

About 1,3-di(propan-2-yloxy)propane;methane;2-(2-propan-2-yloxyethoxy)propane

1,3-di(propan-2-yloxy)propane;methane;2-(2-propan-2-yloxyethoxy)propane (PubChem CID 157339053) has the molecular formula C19H46O4 and a molecular weight of 338.57 g/mol. Its IUPAC name is 1,3-di(propan-2-yloxy)propane;methane;2-(2-propan-2-yloxyethoxy)propane.

Molecular Properties

Compound Name1,3-di(propan-2-yloxy)propane;methane;2-(2-propan-2-yloxyethoxy)propane
PubChem CID157339053
Molecular FormulaC19H46O4
Molecular Weight338.57 g/mol
Exact Mass338.34
IUPAC Name1,3-di(propan-2-yloxy)propane;methane;2-(2-propan-2-yloxyethoxy)propane
SMILESC.C.CC(C)OCCCOC(C)C.CC(C)OCCOC(C)C
InChIInChI=1S/C9H20O2.C8H18O2.2CH4/c1-8(2)10-6-5-7-11-9(3)4;1-7(2)9-5-6-10-8(3)4;;/h8-9H,5-7H2,1-4H3;7-8H,5-6H2,1-4H3;2*1H4
InChIKeyBGEJVGGJTTZRGH-UHFFFAOYSA-N
XLogP5.34
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.57
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-di(propan-2-yloxy)propane;methane;2-(2-propan-2-yloxyethoxy)propane?
The IUPAC name of 1,3-di(propan-2-yloxy)propane;methane;2-(2-propan-2-yloxyethoxy)propane (CID 157339053) is 1,3-di(propan-2-yloxy)propane;methane;2-(2-propan-2-yloxyethoxy)propane.
What is the SMILES notation for 1,3-di(propan-2-yloxy)propane;methane;2-(2-propan-2-yloxyethoxy)propane?
The canonical SMILES for 1,3-di(propan-2-yloxy)propane;methane;2-(2-propan-2-yloxyethoxy)propane is C.C.CC(C)OCCCOC(C)C.CC(C)OCCOC(C)C.
What is the InChIKey of 1,3-di(propan-2-yloxy)propane;methane;2-(2-propan-2-yloxyethoxy)propane?
The InChIKey is BGEJVGGJTTZRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2.C8H18O2.2CH4/c1-8(2)10-6-5-7-11-9(3)4;1-7(2)9-5-6-10-8(3)4;;/h8-9H,5-7H2,1-4H3;7-8H,5-6H2,1-4H3;2*1H4.
What are the key properties of 1,3-di(propan-2-yloxy)propane;methane;2-(2-propan-2-yloxyethoxy)propane?
1,3-di(propan-2-yloxy)propane;methane;2-(2-propan-2-yloxyethoxy)propane has a molecular weight of 338.57 g/mol, XLogP of 5.34, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(propan-2-yloxy)propane;methane;2-(2-propan-2-yloxyethoxy)propane is sourced from PubChem (CID 157339053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).