1-(1-butoxypropan-2-yloxy)propan-2-ol

C10H22O3 — CID 24752

IUPAC1-(1-butoxypropan-2-yloxy)propan-2-ol
SMILESCCCCOCC(C)OCC(C)O
InChIInChI=1S/C10H22O3/c1-4-5-6-12-8-10(3)13-7-9(2)11/h9-11H,4-8H2,1-3H3
InChIKeyCUVLMZNMSPJDON-UHFFFAOYSA-N
MW190.28 g/mol
LogP1.59
Rot. Bonds8

About 1-(1-butoxypropan-2-yloxy)propan-2-ol

1-(1-butoxypropan-2-yloxy)propan-2-ol (PubChem CID 24752) has the molecular formula C10H22O3 and a molecular weight of 190.28 g/mol. Its IUPAC name is 1-(1-butoxypropan-2-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-(1-butoxypropan-2-yloxy)propan-2-ol
PubChem CID24752
Molecular FormulaC10H22O3
Molecular Weight190.28 g/mol
Exact Mass190.16
IUPAC Name1-(1-butoxypropan-2-yloxy)propan-2-ol
SMILESCCCCOCC(C)OCC(C)O
InChIInChI=1S/C10H22O3/c1-4-5-6-12-8-10(3)13-7-9(2)11/h9-11H,4-8H2,1-3H3
InChIKeyCUVLMZNMSPJDON-UHFFFAOYSA-N
XLogP1.59
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.28
LogP ≤ 51.59
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 1-(1-butoxypropan-2-yloxy)propan-2-ol?
The IUPAC name of 1-(1-butoxypropan-2-yloxy)propan-2-ol (CID 24752) is 1-(1-butoxypropan-2-yloxy)propan-2-ol.
What is the SMILES notation for 1-(1-butoxypropan-2-yloxy)propan-2-ol?
The canonical SMILES for 1-(1-butoxypropan-2-yloxy)propan-2-ol is CCCCOCC(C)OCC(C)O.
What is the InChIKey of 1-(1-butoxypropan-2-yloxy)propan-2-ol?
The InChIKey is CUVLMZNMSPJDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3/c1-4-5-6-12-8-10(3)13-7-9(2)11/h9-11H,4-8H2,1-3H3.
What are the key properties of 1-(1-butoxypropan-2-yloxy)propan-2-ol?
1-(1-butoxypropan-2-yloxy)propan-2-ol has a molecular weight of 190.28 g/mol, XLogP of 1.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butoxypropan-2-yloxy)propan-2-ol is sourced from PubChem (CID 24752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).