1,3-di(propan-2-yloxy)propane

C9H20O2 — CID 13156494

IUPAC1,3-di(propan-2-yloxy)propane
SMILESCC(C)OCCCOC(C)C
InChIInChI=1S/C9H20O2/c1-8(2)10-6-5-7-11-9(3)4/h8-9H,5-7H2,1-4H3
InChIKeyVVJPTCRJUZMAOU-UHFFFAOYSA-N
MW160.26 g/mol
LogP2.23
Rot. Bonds6

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

1,3-di(propan-2-yloxy)propane (PubChem CID 13156494) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is 1,3-di(propan-2-yloxy)propane.

Molecular Properties

Compound Name1,3-di(propan-2-yloxy)propane
PubChem CID13156494
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Name1,3-di(propan-2-yloxy)propane
SMILESCC(C)OCCCOC(C)C
InChIInChI=1S/C9H20O2/c1-8(2)10-6-5-7-11-9(3)4/h8-9H,5-7H2,1-4H3
InChIKeyVVJPTCRJUZMAOU-UHFFFAOYSA-N
XLogP2.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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?
The IUPAC name of 1,3-di(propan-2-yloxy)propane (CID 13156494) is 1,3-di(propan-2-yloxy)propane.
What is the SMILES notation for 1,3-di(propan-2-yloxy)propane?
The canonical SMILES for 1,3-di(propan-2-yloxy)propane is CC(C)OCCCOC(C)C.
What is the InChIKey of 1,3-di(propan-2-yloxy)propane?
The InChIKey is VVJPTCRJUZMAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2/c1-8(2)10-6-5-7-11-9(3)4/h8-9H,5-7H2,1-4H3.
What are the key properties of 1,3-di(propan-2-yloxy)propane?
1,3-di(propan-2-yloxy)propane has a molecular weight of 160.26 g/mol, XLogP of 2.23, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(propan-2-yloxy)propane is sourced from PubChem (CID 13156494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).