2-[2-(6-methylheptoxy)propoxy]propan-1-ol

C14H30O3 — CID 154124865

IUPAC2-[2-(6-methylheptoxy)propoxy]propan-1-ol
SMILESCC(C)CCCCCOC(C)COC(C)CO
InChIInChI=1S/C14H30O3/c1-12(2)8-6-5-7-9-16-14(4)11-17-13(3)10-15/h12-15H,5-11H2,1-4H3
InChIKeyCQMIOEUWNXQWMN-UHFFFAOYSA-N
MW246.39 g/mol
LogP3.01
Rot. Bonds11

About 2-[2-(6-methylheptoxy)propoxy]propan-1-ol

2-[2-(6-methylheptoxy)propoxy]propan-1-ol (PubChem CID 154124865) has the molecular formula C14H30O3 and a molecular weight of 246.39 g/mol. Its IUPAC name is 2-[2-(6-methylheptoxy)propoxy]propan-1-ol.

Molecular Properties

Compound Name2-[2-(6-methylheptoxy)propoxy]propan-1-ol
PubChem CID154124865
Molecular FormulaC14H30O3
Molecular Weight246.39 g/mol
Exact Mass246.22
IUPAC Name2-[2-(6-methylheptoxy)propoxy]propan-1-ol
SMILESCC(C)CCCCCOC(C)COC(C)CO
InChIInChI=1S/C14H30O3/c1-12(2)8-6-5-7-9-16-14(4)11-17-13(3)10-15/h12-15H,5-11H2,1-4H3
InChIKeyCQMIOEUWNXQWMN-UHFFFAOYSA-N
XLogP3.01
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-(6-methylheptoxy)propoxy]propan-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

2-[2-[2-(3-methylbutoxy)propoxy]propoxy]propan-1-ol
CID 87594650
2-[2-[2-[2-(2-decoxypropoxy)propoxy]propoxy]propoxy]propan-1-ol
CID 139973297
2-[2-[2-[2-(2-octadecoxypropoxy)propoxy]propoxy]propoxy]propan-1-ol
CID 11478535
2-(2-heptoxypropoxy)propan-1-ol
CID 90302123
2-[2-(2-tetradecoxypropoxy)propoxy]propan-1-ol
CID 11234638
2-[2-(2-hexoxypropoxy)propoxy]propan-1-ol
CID 87247027
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-butoxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 88651680
2-[2-[2-[2-(2-propoxypropoxy)propoxy]propoxy]propoxy]propan-1-ol
CID 87591136
2-[2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 101170306
2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;6-methylheptanoic acid
CID 88717716
methane;2-octadecoxypropan-1-ol
CID 178185801
1-(17-methyloctadecoxy)ethanol
CID 87458732

Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-methylheptoxy)propoxy]propan-1-ol?
The IUPAC name of 2-[2-(6-methylheptoxy)propoxy]propan-1-ol (CID 154124865) is 2-[2-(6-methylheptoxy)propoxy]propan-1-ol.
What is the SMILES notation for 2-[2-(6-methylheptoxy)propoxy]propan-1-ol?
The canonical SMILES for 2-[2-(6-methylheptoxy)propoxy]propan-1-ol is CC(C)CCCCCOC(C)COC(C)CO.
What is the InChIKey of 2-[2-(6-methylheptoxy)propoxy]propan-1-ol?
The InChIKey is CQMIOEUWNXQWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O3/c1-12(2)8-6-5-7-9-16-14(4)11-17-13(3)10-15/h12-15H,5-11H2,1-4H3.
What are the key properties of 2-[2-(6-methylheptoxy)propoxy]propan-1-ol?
2-[2-(6-methylheptoxy)propoxy]propan-1-ol has a molecular weight of 246.39 g/mol, XLogP of 3.01, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-methylheptoxy)propoxy]propan-1-ol is sourced from PubChem (CID 154124865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).