2-methyl-1-(1-propoxybutoxy)propan-2-ol

C11H24O3 — CID 57288138

IUPAC2-methyl-1-(1-propoxybutoxy)propan-2-ol
SMILESCCCOC(CCC)OCC(C)(C)O
InChIInChI=1S/C11H24O3/c1-5-7-10(13-8-6-2)14-9-11(3,4)12/h10,12H,5-9H2,1-4H3
InChIKeyKWVVWRPKCXBNFX-UHFFFAOYSA-N
MW204.31 g/mol
LogP2.33
Rot. Bonds8

About 2-methyl-1-(1-propoxybutoxy)propan-2-ol

2-methyl-1-(1-propoxybutoxy)propan-2-ol (PubChem CID 57288138) has the molecular formula C11H24O3 and a molecular weight of 204.31 g/mol. Its IUPAC name is 2-methyl-1-(1-propoxybutoxy)propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(1-propoxybutoxy)propan-2-ol
PubChem CID57288138
Molecular FormulaC11H24O3
Molecular Weight204.31 g/mol
Exact Mass204.17
IUPAC Name2-methyl-1-(1-propoxybutoxy)propan-2-ol
SMILESCCCOC(CCC)OCC(C)(C)O
InChIInChI=1S/C11H24O3/c1-5-7-10(13-8-6-2)14-9-11(3,4)12/h10,12H,5-9H2,1-4H3
InChIKeyKWVVWRPKCXBNFX-UHFFFAOYSA-N
XLogP2.33
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-propoxybutoxy)propan-2-ol?
The IUPAC name of 2-methyl-1-(1-propoxybutoxy)propan-2-ol (CID 57288138) is 2-methyl-1-(1-propoxybutoxy)propan-2-ol.
What is the SMILES notation for 2-methyl-1-(1-propoxybutoxy)propan-2-ol?
The canonical SMILES for 2-methyl-1-(1-propoxybutoxy)propan-2-ol is CCCOC(CCC)OCC(C)(C)O.
What is the InChIKey of 2-methyl-1-(1-propoxybutoxy)propan-2-ol?
The InChIKey is KWVVWRPKCXBNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O3/c1-5-7-10(13-8-6-2)14-9-11(3,4)12/h10,12H,5-9H2,1-4H3.
What are the key properties of 2-methyl-1-(1-propoxybutoxy)propan-2-ol?
2-methyl-1-(1-propoxybutoxy)propan-2-ol has a molecular weight of 204.31 g/mol, XLogP of 2.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-propoxybutoxy)propan-2-ol is sourced from PubChem (CID 57288138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).