5-(5-methoxyhexoxy)hexan-1-ol

C13H28O3 — CID 165144322

IUPAC5-(5-methoxyhexoxy)hexan-1-ol
SMILESCOC(C)CCCCOC(C)CCCCO
InChIInChI=1S/C13H28O3/c1-12(15-3)8-5-7-11-16-13(2)9-4-6-10-14/h12-14H,4-11H2,1-3H3
InChIKeyOOIOCQLXATVFLT-UHFFFAOYSA-N
MW232.36 g/mol
LogP2.76
Rot. Bonds11

About 5-(5-methoxyhexoxy)hexan-1-ol

5-(5-methoxyhexoxy)hexan-1-ol (PubChem CID 165144322) has the molecular formula C13H28O3 and a molecular weight of 232.36 g/mol. Its IUPAC name is 5-(5-methoxyhexoxy)hexan-1-ol.

Molecular Properties

Compound Name5-(5-methoxyhexoxy)hexan-1-ol
PubChem CID165144322
Molecular FormulaC13H28O3
Molecular Weight232.36 g/mol
Exact Mass232.20
IUPAC Name5-(5-methoxyhexoxy)hexan-1-ol
SMILESCOC(C)CCCCOC(C)CCCCO
InChIInChI=1S/C13H28O3/c1-12(15-3)8-5-7-11-16-13(2)9-4-6-10-14/h12-14H,4-11H2,1-3H3
InChIKeyOOIOCQLXATVFLT-UHFFFAOYSA-N
XLogP2.76
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4R)-4-propoxypentan-1-ol
CID 54320299
7-butan-2-yloxyheptan-1-ol
CID 90727194
1-octan-2-yloxydecane
CID 86220707
1-nonan-2-yloxyoctadecane
CID 88815684
2-decoxyundecane
CID 151498473
1-undecan-2-yloxypentadecane
CID 174433069
3-[(2R)-butan-2-yl]oxypropan-1-ol
CID 5315839
2-[2-(4-hydroxybutoxy)propoxy]ethane-1,1-diol
CID 173117028
azane;7-[ethyl(8-octoxynonyl)amino]heptan-1-ol;heptadecane;methane;molecular hydrogen;phosphane;dihydrate
CID 177193830
1-hexan-2-yloxydecane
CID 57029724
6-methoxy-2-methylheptan-1-ol
CID 139725906
5-(3-methylbutan-2-yloxy)pentan-1-ol
CID 58556716

Frequently Asked Questions

What is the IUPAC name of 5-(5-methoxyhexoxy)hexan-1-ol?
The IUPAC name of 5-(5-methoxyhexoxy)hexan-1-ol (CID 165144322) is 5-(5-methoxyhexoxy)hexan-1-ol.
What is the SMILES notation for 5-(5-methoxyhexoxy)hexan-1-ol?
The canonical SMILES for 5-(5-methoxyhexoxy)hexan-1-ol is COC(C)CCCCOC(C)CCCCO.
What is the InChIKey of 5-(5-methoxyhexoxy)hexan-1-ol?
The InChIKey is OOIOCQLXATVFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O3/c1-12(15-3)8-5-7-11-16-13(2)9-4-6-10-14/h12-14H,4-11H2,1-3H3.
What are the key properties of 5-(5-methoxyhexoxy)hexan-1-ol?
5-(5-methoxyhexoxy)hexan-1-ol has a molecular weight of 232.36 g/mol, XLogP of 2.76, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methoxyhexoxy)hexan-1-ol is sourced from PubChem (CID 165144322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).