6-(6-hydroxyhexoxy)hexan-1-ol

C12H26O3 — CID 14123451

IUPAC6-(6-hydroxyhexoxy)hexan-1-ol
SMILESOCCCCCCOCCCCCCO
InChIInChI=1S/C12H26O3/c13-9-5-1-3-7-11-15-12-8-4-2-6-10-14/h13-14H,1-12H2
InChIKeyDOKSGDQKKRNJOK-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.11
Rot. Bonds12

About 6-(6-hydroxyhexoxy)hexan-1-ol

6-(6-hydroxyhexoxy)hexan-1-ol (PubChem CID 14123451) has the molecular formula C12H26O3 and a molecular weight of 218.34 g/mol. Its IUPAC name is 6-(6-hydroxyhexoxy)hexan-1-ol.

Molecular Properties

Compound Name6-(6-hydroxyhexoxy)hexan-1-ol
PubChem CID14123451
Molecular FormulaC12H26O3
Molecular Weight218.34 g/mol
Exact Mass218.19
IUPAC Name6-(6-hydroxyhexoxy)hexan-1-ol
SMILESOCCCCCCOCCCCCCO
InChIInChI=1S/C12H26O3/c13-9-5-1-3-7-11-15-12-8-4-2-6-10-14/h13-14H,1-12H2
InChIKeyDOKSGDQKKRNJOK-UHFFFAOYSA-N
XLogP2.11
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(6-hydroxyhexoxy)hexan-1-ol?
The IUPAC name of 6-(6-hydroxyhexoxy)hexan-1-ol (CID 14123451) is 6-(6-hydroxyhexoxy)hexan-1-ol.
What is the SMILES notation for 6-(6-hydroxyhexoxy)hexan-1-ol?
The canonical SMILES for 6-(6-hydroxyhexoxy)hexan-1-ol is OCCCCCCOCCCCCCO.
What is the InChIKey of 6-(6-hydroxyhexoxy)hexan-1-ol?
The InChIKey is DOKSGDQKKRNJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3/c13-9-5-1-3-7-11-15-12-8-4-2-6-10-14/h13-14H,1-12H2.
What are the key properties of 6-(6-hydroxyhexoxy)hexan-1-ol?
6-(6-hydroxyhexoxy)hexan-1-ol has a molecular weight of 218.34 g/mol, XLogP of 2.11, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-hydroxyhexoxy)hexan-1-ol is sourced from PubChem (CID 14123451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).