5-(2-hydroxyethoxymethyl)nonan-5-ol

C12H26O3 — CID 22673106

IUPAC5-(2-hydroxyethoxymethyl)nonan-5-ol
SMILESCCCCC(O)(CCCC)COCCO
InChIInChI=1S/C12H26O3/c1-3-5-7-12(14,8-6-4-2)11-15-10-9-13/h13-14H,3-11H2,1-2H3
InChIKeyWEFYTUJDZBLKSR-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.11
Rot. Bonds10

About 5-(2-hydroxyethoxymethyl)nonan-5-ol

5-(2-hydroxyethoxymethyl)nonan-5-ol (PubChem CID 22673106) has the molecular formula C12H26O3 and a molecular weight of 218.34 g/mol. Its IUPAC name is 5-(2-hydroxyethoxymethyl)nonan-5-ol.

Molecular Properties

Compound Name5-(2-hydroxyethoxymethyl)nonan-5-ol
PubChem CID22673106
Molecular FormulaC12H26O3
Molecular Weight218.34 g/mol
Exact Mass218.19
IUPAC Name5-(2-hydroxyethoxymethyl)nonan-5-ol
SMILESCCCCC(O)(CCCC)COCCO
InChIInChI=1S/C12H26O3/c1-3-5-7-12(14,8-6-4-2)11-15-10-9-13/h13-14H,3-11H2,1-2H3
InChIKeyWEFYTUJDZBLKSR-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 5-(2-hydroxyethoxymethyl)nonan-5-ol?
The IUPAC name of 5-(2-hydroxyethoxymethyl)nonan-5-ol (CID 22673106) is 5-(2-hydroxyethoxymethyl)nonan-5-ol.
What is the SMILES notation for 5-(2-hydroxyethoxymethyl)nonan-5-ol?
The canonical SMILES for 5-(2-hydroxyethoxymethyl)nonan-5-ol is CCCCC(O)(CCCC)COCCO.
What is the InChIKey of 5-(2-hydroxyethoxymethyl)nonan-5-ol?
The InChIKey is WEFYTUJDZBLKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3/c1-3-5-7-12(14,8-6-4-2)11-15-10-9-13/h13-14H,3-11H2,1-2H3.
What are the key properties of 5-(2-hydroxyethoxymethyl)nonan-5-ol?
5-(2-hydroxyethoxymethyl)nonan-5-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 5-(2-hydroxyethoxymethyl)nonan-5-ol is sourced from PubChem (CID 22673106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).