1-butoxy-3-ethoxy-3-methoxy-2-methyl-1-propan-2-yloxy-2-propoxypropan-1-ol

C17H36O6 — CID 151582947

IUPAC1-butoxy-3-ethoxy-3-methoxy-2-methyl-1-propan-2-yloxy-2-propoxypropan-1-ol
SMILESCCCCOC(O)(OC(C)C)C(C)(OCCC)C(OC)OCC
InChIInChI=1S/C17H36O6/c1-8-11-13-22-17(18,23-14(4)5)16(6,21-12-9-2)15(19-7)20-10-3/h14-15,18H,8-13H2,1-7H3
InChIKeyQGWODQNGHHUGDC-UHFFFAOYSA-N
MW336.47 g/mol
LogP3.07
Rot. Bonds14

About 1-butoxy-3-ethoxy-3-methoxy-2-methyl-1-propan-2-yloxy-2-propoxypropan-1-ol

1-butoxy-3-ethoxy-3-methoxy-2-methyl-1-propan-2-yloxy-2-propoxypropan-1-ol (PubChem CID 151582947) has the molecular formula C17H36O6 and a molecular weight of 336.47 g/mol. Its IUPAC name is 1-butoxy-3-ethoxy-3-methoxy-2-methyl-1-propan-2-yloxy-2-propoxypropan-1-ol.

Molecular Properties

Compound Name1-butoxy-3-ethoxy-3-methoxy-2-methyl-1-propan-2-yloxy-2-propoxypropan-1-ol
PubChem CID151582947
Molecular FormulaC17H36O6
Molecular Weight336.47 g/mol
Exact Mass336.25
IUPAC Name1-butoxy-3-ethoxy-3-methoxy-2-methyl-1-propan-2-yloxy-2-propoxypropan-1-ol
SMILESCCCCOC(O)(OC(C)C)C(C)(OCCC)C(OC)OCC
InChIInChI=1S/C17H36O6/c1-8-11-13-22-17(18,23-14(4)5)16(6,21-12-9-2)15(19-7)20-10-3/h14-15,18H,8-13H2,1-7H3
InChIKeyQGWODQNGHHUGDC-UHFFFAOYSA-N
XLogP3.07
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.47
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-butoxy-3-ethoxy-3-methoxy-2-methyl-1-propan-2-yloxy-2-propoxypropan-1-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

[butan-2-yloxy-(1-butoxy-3-ethoxy-3-methoxy-2-methyl-1-propan-2-yloxy-1-propoxypropan-2-yl)oxy-(2-methylpropoxy)methyl] thiohypofluorite
CID 154422207
2-butoxy-2-propan-2-yloxybutane
CID 174800754
3-butoxy-2-(2-ethoxy-3-methoxybutan-2-yl)oxy-2-methyl-3-propan-2-yloxy-3-propoxypropanoic acid
CID 150942263
1-(1-butoxyethoxy)-1-ethoxyethanol
CID 174788322
1,1-dimethoxy-2-methylheptan-2-ol
CID 66038845
1-methoxy-2-methyl-1-propoxypentane-2,3-diol
CID 91462439
methyl 3-hydroxy-2,3-dimethylheptanoate
CID 6422821
3-butoxy-3-methylpentan-2-ol
CID 175045885
2,2-diethoxy-1-(2-methoxyethoxy)ethane-1,1-diol
CID 23185217
2,2-dibutoxy-1-(2,2-dibutoxy-1-methoxytetradecoxy)-1-methoxytetradecane
CID 175166358
2,2-dibutoxypropan-1-ol
CID 145497919
1-butan-2-yloxy-1-butoxy-5-tert-butylperoxy-1-propan-2-yloxy-5-propoxypentane
CID 151724219

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-3-ethoxy-3-methoxy-2-methyl-1-propan-2-yloxy-2-propoxypropan-1-ol?
The IUPAC name of 1-butoxy-3-ethoxy-3-methoxy-2-methyl-1-propan-2-yloxy-2-propoxypropan-1-ol (CID 151582947) is 1-butoxy-3-ethoxy-3-methoxy-2-methyl-1-propan-2-yloxy-2-propoxypropan-1-ol.
What is the SMILES notation for 1-butoxy-3-ethoxy-3-methoxy-2-methyl-1-propan-2-yloxy-2-propoxypropan-1-ol?
The canonical SMILES for 1-butoxy-3-ethoxy-3-methoxy-2-methyl-1-propan-2-yloxy-2-propoxypropan-1-ol is CCCCOC(O)(OC(C)C)C(C)(OCCC)C(OC)OCC.
What is the InChIKey of 1-butoxy-3-ethoxy-3-methoxy-2-methyl-1-propan-2-yloxy-2-propoxypropan-1-ol?
The InChIKey is QGWODQNGHHUGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O6/c1-8-11-13-22-17(18,23-14(4)5)16(6,21-12-9-2)15(19-7)20-10-3/h14-15,18H,8-13H2,1-7H3.
What are the key properties of 1-butoxy-3-ethoxy-3-methoxy-2-methyl-1-propan-2-yloxy-2-propoxypropan-1-ol?
1-butoxy-3-ethoxy-3-methoxy-2-methyl-1-propan-2-yloxy-2-propoxypropan-1-ol has a molecular weight of 336.47 g/mol, XLogP of 3.07, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-3-ethoxy-3-methoxy-2-methyl-1-propan-2-yloxy-2-propoxypropan-1-ol is sourced from PubChem (CID 151582947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).