1-(2-methoxyethoxy)heptane-2,5-diol

C10H22O4 — CID 106992811

IUPAC1-(2-methoxyethoxy)heptane-2,5-diol
SMILESCCC(O)CCC(O)COCCOC
InChIInChI=1S/C10H22O4/c1-3-9(11)4-5-10(12)8-14-7-6-13-2/h9-12H,3-8H2,1-2H3
InChIKeyRAWTZHLQTAACCL-UHFFFAOYSA-N
MW206.28 g/mol
LogP0.56
Rot. Bonds9

About 1-(2-methoxyethoxy)heptane-2,5-diol

1-(2-methoxyethoxy)heptane-2,5-diol (PubChem CID 106992811) has the molecular formula C10H22O4 and a molecular weight of 206.28 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)heptane-2,5-diol.

Molecular Properties

Compound Name1-(2-methoxyethoxy)heptane-2,5-diol
PubChem CID106992811
Molecular FormulaC10H22O4
Molecular Weight206.28 g/mol
Exact Mass206.15
IUPAC Name1-(2-methoxyethoxy)heptane-2,5-diol
SMILESCCC(O)CCC(O)COCCOC
InChIInChI=1S/C10H22O4/c1-3-9(11)4-5-10(12)8-14-7-6-13-2/h9-12H,3-8H2,1-2H3
InChIKeyRAWTZHLQTAACCL-UHFFFAOYSA-N
XLogP0.56
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2-methoxyethoxy)heptane-2,5-diol 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-methoxyethoxy)butan-2-ol
CID 20514540
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-ol
CID 104564611
1-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]butan-2-ol
CID 106990539
1-[2-(2-methoxyethoxy)ethoxy]octan-2-ol
CID 150741605
1-[2-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]ethoxy]butan-2-ol
CID 12645981
1-chloro-3-(2-methoxyethoxy)propan-2-ol
CID 4581090
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane-1,2-diol
CID 88556608
1-(2-methoxyethoxy)-3-(pentan-3-ylamino)propan-2-ol
CID 106989003
4-[2-hydroxy-3-(3-hydroxy-4-methoxybutoxy)propoxy]-1-methoxybutan-2-ol
CID 177262204
1-methoxy-3-[3-(2-methoxyethoxy)propoxy]propan-2-ol
CID 107508453
1-(hexan-3-ylamino)-3-(2-methoxyethoxy)propan-2-ol
CID 106989797
1-[2-(3-ethoxy-2-hydroxypropoxy)ethoxy]butan-2-ol
CID 89027633

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxy)heptane-2,5-diol?
The IUPAC name of 1-(2-methoxyethoxy)heptane-2,5-diol (CID 106992811) is 1-(2-methoxyethoxy)heptane-2,5-diol.
What is the SMILES notation for 1-(2-methoxyethoxy)heptane-2,5-diol?
The canonical SMILES for 1-(2-methoxyethoxy)heptane-2,5-diol is CCC(O)CCC(O)COCCOC.
What is the InChIKey of 1-(2-methoxyethoxy)heptane-2,5-diol?
The InChIKey is RAWTZHLQTAACCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O4/c1-3-9(11)4-5-10(12)8-14-7-6-13-2/h9-12H,3-8H2,1-2H3.
What are the key properties of 1-(2-methoxyethoxy)heptane-2,5-diol?
1-(2-methoxyethoxy)heptane-2,5-diol has a molecular weight of 206.28 g/mol, XLogP of 0.56, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)heptane-2,5-diol is sourced from PubChem (CID 106992811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).