1-[1-(1-methoxypropan-2-yloxy)butan-2-yloxy]butan-2-ol

C12H26O4 — CID 169296791

IUPAC1-[1-(1-methoxypropan-2-yloxy)butan-2-yloxy]butan-2-ol
SMILESCCC(O)COC(CC)COC(C)COC
InChIInChI=1S/C12H26O4/c1-5-11(13)8-16-12(6-2)9-15-10(3)7-14-4/h10-13H,5-9H2,1-4H3
InChIKeyMLMIDMFCORSCHK-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.60
Rot. Bonds10

About 1-[1-(1-methoxypropan-2-yloxy)butan-2-yloxy]butan-2-ol

1-[1-(1-methoxypropan-2-yloxy)butan-2-yloxy]butan-2-ol (PubChem CID 169296791) has the molecular formula C12H26O4 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[1-(1-methoxypropan-2-yloxy)butan-2-yloxy]butan-2-ol.

Molecular Properties

Compound Name1-[1-(1-methoxypropan-2-yloxy)butan-2-yloxy]butan-2-ol
PubChem CID169296791
Molecular FormulaC12H26O4
Molecular Weight234.34 g/mol
Exact Mass234.18
IUPAC Name1-[1-(1-methoxypropan-2-yloxy)butan-2-yloxy]butan-2-ol
SMILESCCC(O)COC(CC)COC(C)COC
InChIInChI=1S/C12H26O4/c1-5-11(13)8-16-12(6-2)9-15-10(3)7-14-4/h10-13H,5-9H2,1-4H3
InChIKeyMLMIDMFCORSCHK-UHFFFAOYSA-N
XLogP1.60
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-(1-methoxypropan-2-yloxy)butan-2-yloxy]butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]butan-2-ol
CID 20834285
1-methoxy-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 107508429
2-[2-(2-hydroxybutoxy)butoxy]butan-1-ol
CID 22568338
methane;1-methoxybutan-2-ol
CID 161499525
1-[ethyl(methyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991712
1,3-di(butan-2-yloxy)propan-2-ol
CID 22072723
1,3-bis(1,3-dimethoxypropan-2-yloxy)propan-2-ol
CID 71445138
1-(1-methoxypropan-2-yloxy)-7-methyloctane-2,5-diol
CID 106992842
1-[2,3-bis(2-hydroxybutoxy)propoxy]butan-2-ol
CID 22947936
2-methoxybutane;1-methoxybutan-2-ol;methoxyethane
CID 158419492
1-[2,2-difluoroethyl(methyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106992238
1-azido-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991332

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-methoxypropan-2-yloxy)butan-2-yloxy]butan-2-ol?
The IUPAC name of 1-[1-(1-methoxypropan-2-yloxy)butan-2-yloxy]butan-2-ol (CID 169296791) is 1-[1-(1-methoxypropan-2-yloxy)butan-2-yloxy]butan-2-ol.
What is the SMILES notation for 1-[1-(1-methoxypropan-2-yloxy)butan-2-yloxy]butan-2-ol?
The canonical SMILES for 1-[1-(1-methoxypropan-2-yloxy)butan-2-yloxy]butan-2-ol is CCC(O)COC(CC)COC(C)COC.
What is the InChIKey of 1-[1-(1-methoxypropan-2-yloxy)butan-2-yloxy]butan-2-ol?
The InChIKey is MLMIDMFCORSCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O4/c1-5-11(13)8-16-12(6-2)9-15-10(3)7-14-4/h10-13H,5-9H2,1-4H3.
What are the key properties of 1-[1-(1-methoxypropan-2-yloxy)butan-2-yloxy]butan-2-ol?
1-[1-(1-methoxypropan-2-yloxy)butan-2-yloxy]butan-2-ol has a molecular weight of 234.34 g/mol, XLogP of 1.60, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-methoxypropan-2-yloxy)butan-2-yloxy]butan-2-ol is sourced from PubChem (CID 169296791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).