1-[1,3-bis(2-methoxyethoxy)propan-2-yloxy]-4-methylpentane

C15H32O5 — CID 158254668

IUPAC1-[1,3-bis(2-methoxyethoxy)propan-2-yloxy]-4-methylpentane
SMILESCOCCOCC(COCCOC)OCCCC(C)C
InChIInChI=1S/C15H32O5/c1-14(2)6-5-7-20-15(12-18-10-8-16-3)13-19-11-9-17-4/h14-15H,5-13H2,1-4H3
InChIKeyQHEBUZQLIIDCOS-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.13
Rot. Bonds15

About 1-[1,3-bis(2-methoxyethoxy)propan-2-yloxy]-4-methylpentane

1-[1,3-bis(2-methoxyethoxy)propan-2-yloxy]-4-methylpentane (PubChem CID 158254668) has the molecular formula C15H32O5 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-[1,3-bis(2-methoxyethoxy)propan-2-yloxy]-4-methylpentane.

Molecular Properties

Compound Name1-[1,3-bis(2-methoxyethoxy)propan-2-yloxy]-4-methylpentane
PubChem CID158254668
Molecular FormulaC15H32O5
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-[1,3-bis(2-methoxyethoxy)propan-2-yloxy]-4-methylpentane
SMILESCOCCOCC(COCCOC)OCCCC(C)C
InChIInChI=1S/C15H32O5/c1-14(2)6-5-7-20-15(12-18-10-8-16-3)13-19-11-9-17-4/h14-15H,5-13H2,1-4H3
InChIKeyQHEBUZQLIIDCOS-UHFFFAOYSA-N
XLogP2.13
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[1,3-bis(2-methoxyethoxy)propan-2-yloxy]-4-methylpentane 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-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylpentane
CID 58473516
1-[1-methoxy-3-(2-methoxyethoxy)propan-2-yl]oxyoctadecane
CID 126614147
1-(2-methoxyethoxymethoxy)-4-methylpentane
CID 157079781
3-methoxy-N-methyl-2-(4-methylpentoxy)propan-1-amine
CID 103227898
1-[1-(2-methoxyethoxy)butan-2-yloxy]pentane
CID 165154265
1-methoxy-4,8-dimethylnonane
CID 90974533
2-(2-methoxyethoxymethoxy)-6-methylheptane
CID 12653649
4-[2-[2-[1-[2-[2-[2,3-bis[2-(2-methoxyethoxy)ethoxy]propoxy]ethoxy]ethoxy]butan-2-yloxy]ethoxy]ethoxy]-1,2-bis[2-(2-methoxyethoxy)ethoxy]butane;methanethiol
CID 157198913
1-(2-butoxybutoxy)-17-methyloctadecane
CID 126586639
4-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]pentane
CID 58371353
2-(4-methylpentoxy)propane-1,3-diol
CID 141356566
methane;1-methoxy-2,5-dimethylhexane;1-(2-methoxyethoxy)-2,5-dimethylhexane
CID 161045370

Frequently Asked Questions

What is the IUPAC name of 1-[1,3-bis(2-methoxyethoxy)propan-2-yloxy]-4-methylpentane?
The IUPAC name of 1-[1,3-bis(2-methoxyethoxy)propan-2-yloxy]-4-methylpentane (CID 158254668) is 1-[1,3-bis(2-methoxyethoxy)propan-2-yloxy]-4-methylpentane.
What is the SMILES notation for 1-[1,3-bis(2-methoxyethoxy)propan-2-yloxy]-4-methylpentane?
The canonical SMILES for 1-[1,3-bis(2-methoxyethoxy)propan-2-yloxy]-4-methylpentane is COCCOCC(COCCOC)OCCCC(C)C.
What is the InChIKey of 1-[1,3-bis(2-methoxyethoxy)propan-2-yloxy]-4-methylpentane?
The InChIKey is QHEBUZQLIIDCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O5/c1-14(2)6-5-7-20-15(12-18-10-8-16-3)13-19-11-9-17-4/h14-15H,5-13H2,1-4H3.
What are the key properties of 1-[1,3-bis(2-methoxyethoxy)propan-2-yloxy]-4-methylpentane?
1-[1,3-bis(2-methoxyethoxy)propan-2-yloxy]-4-methylpentane has a molecular weight of 292.42 g/mol, XLogP of 2.13, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,3-bis(2-methoxyethoxy)propan-2-yloxy]-4-methylpentane is sourced from PubChem (CID 158254668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).