6-(4-hydroxyhexoxy)hexan-3-ol

C12H26O3 — CID 14245448

IUPAC6-(4-hydroxyhexoxy)hexan-3-ol
SMILESCCC(O)CCCOCCCC(O)CC
InChIInChI=1S/C12H26O3/c1-3-11(13)7-5-9-15-10-6-8-12(14)4-2/h11-14H,3-10H2,1-2H3
InChIKeyCWASJTYPYOGEFR-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.11
Rot. Bonds10

About 6-(4-hydroxyhexoxy)hexan-3-ol

6-(4-hydroxyhexoxy)hexan-3-ol (PubChem CID 14245448) has the molecular formula C12H26O3 and a molecular weight of 218.34 g/mol. Its IUPAC name is 6-(4-hydroxyhexoxy)hexan-3-ol.

Molecular Properties

Compound Name6-(4-hydroxyhexoxy)hexan-3-ol
PubChem CID14245448
Molecular FormulaC12H26O3
Molecular Weight218.34 g/mol
Exact Mass218.19
IUPAC Name6-(4-hydroxyhexoxy)hexan-3-ol
SMILESCCC(O)CCCOCCCC(O)CC
InChIInChI=1S/C12H26O3/c1-3-11(13)7-5-9-15-10-6-8-12(14)4-2/h11-14H,3-10H2,1-2H3
InChIKeyCWASJTYPYOGEFR-UHFFFAOYSA-N
XLogP2.11
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
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-(4-hydroxyhexoxy)hexan-3-ol?
The IUPAC name of 6-(4-hydroxyhexoxy)hexan-3-ol (CID 14245448) is 6-(4-hydroxyhexoxy)hexan-3-ol.
What is the SMILES notation for 6-(4-hydroxyhexoxy)hexan-3-ol?
The canonical SMILES for 6-(4-hydroxyhexoxy)hexan-3-ol is CCC(O)CCCOCCCC(O)CC.
What is the InChIKey of 6-(4-hydroxyhexoxy)hexan-3-ol?
The InChIKey is CWASJTYPYOGEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3/c1-3-11(13)7-5-9-15-10-6-8-12(14)4-2/h11-14H,3-10H2,1-2H3.
What are the key properties of 6-(4-hydroxyhexoxy)hexan-3-ol?
6-(4-hydroxyhexoxy)hexan-3-ol has a molecular weight of 218.34 g/mol, XLogP of 2.11, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxyhexoxy)hexan-3-ol is sourced from PubChem (CID 14245448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).