3-(3-propan-2-yloxypropoxy)propan-1-ol

C9H20O3 — CID 547805

IUPAC3-(3-propan-2-yloxypropoxy)propan-1-ol
SMILESCC(C)OCCCOCCCO
InChIInChI=1S/C9H20O3/c1-9(2)12-8-4-7-11-6-3-5-10/h9-10H,3-8H2,1-2H3
InChIKeyMZWWFYLNUVLOJB-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.20
Rot. Bonds8

About 3-(3-propan-2-yloxypropoxy)propan-1-ol

3-(3-propan-2-yloxypropoxy)propan-1-ol (PubChem CID 547805) has the molecular formula C9H20O3 and a molecular weight of 176.26 g/mol. Its IUPAC name is 3-(3-propan-2-yloxypropoxy)propan-1-ol.

Molecular Properties

Compound Name3-(3-propan-2-yloxypropoxy)propan-1-ol
PubChem CID547805
Molecular FormulaC9H20O3
Molecular Weight176.26 g/mol
Exact Mass176.14
IUPAC Name3-(3-propan-2-yloxypropoxy)propan-1-ol
SMILESCC(C)OCCCOCCCO
InChIInChI=1S/C9H20O3/c1-9(2)12-8-4-7-11-6-3-5-10/h9-10H,3-8H2,1-2H3
InChIKeyMZWWFYLNUVLOJB-UHFFFAOYSA-N
XLogP1.20
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-(3-propan-2-yloxypropoxy)propan-1-ol?
The IUPAC name of 3-(3-propan-2-yloxypropoxy)propan-1-ol (CID 547805) is 3-(3-propan-2-yloxypropoxy)propan-1-ol.
What is the SMILES notation for 3-(3-propan-2-yloxypropoxy)propan-1-ol?
The canonical SMILES for 3-(3-propan-2-yloxypropoxy)propan-1-ol is CC(C)OCCCOCCCO.
What is the InChIKey of 3-(3-propan-2-yloxypropoxy)propan-1-ol?
The InChIKey is MZWWFYLNUVLOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O3/c1-9(2)12-8-4-7-11-6-3-5-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 3-(3-propan-2-yloxypropoxy)propan-1-ol?
3-(3-propan-2-yloxypropoxy)propan-1-ol has a molecular weight of 176.26 g/mol, XLogP of 1.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-propan-2-yloxypropoxy)propan-1-ol is sourced from PubChem (CID 547805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).