4-(2-hydroxynonan-4-yloxy)nonan-2-ol

C18H38O3 — CID 70302296

IUPAC4-(2-hydroxynonan-4-yloxy)nonan-2-ol
SMILESCCCCCC(CC(C)O)OC(CCCCC)CC(C)O
InChIInChI=1S/C18H38O3/c1-5-7-9-11-17(13-15(3)19)21-18(14-16(4)20)12-10-8-6-2/h15-20H,5-14H2,1-4H3
InChIKeyPASQFGVYJUVENY-UHFFFAOYSA-N
MW302.50 g/mol
LogP4.44
Rot. Bonds14

About 4-(2-hydroxynonan-4-yloxy)nonan-2-ol

4-(2-hydroxynonan-4-yloxy)nonan-2-ol (PubChem CID 70302296) has the molecular formula C18H38O3 and a molecular weight of 302.50 g/mol. Its IUPAC name is 4-(2-hydroxynonan-4-yloxy)nonan-2-ol.

Molecular Properties

Compound Name4-(2-hydroxynonan-4-yloxy)nonan-2-ol
PubChem CID70302296
Molecular FormulaC18H38O3
Molecular Weight302.50 g/mol
Exact Mass302.28
IUPAC Name4-(2-hydroxynonan-4-yloxy)nonan-2-ol
SMILESCCCCCC(CC(C)O)OC(CCCCC)CC(C)O
InChIInChI=1S/C18H38O3/c1-5-7-9-11-17(13-15(3)19)21-18(14-16(4)20)12-10-8-6-2/h15-20H,5-14H2,1-4H3
InChIKeyPASQFGVYJUVENY-UHFFFAOYSA-N
XLogP4.44
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.50
LogP ≤ 54.44
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 4-(2-hydroxynonan-4-yloxy)nonan-2-ol?
The IUPAC name of 4-(2-hydroxynonan-4-yloxy)nonan-2-ol (CID 70302296) is 4-(2-hydroxynonan-4-yloxy)nonan-2-ol.
What is the SMILES notation for 4-(2-hydroxynonan-4-yloxy)nonan-2-ol?
The canonical SMILES for 4-(2-hydroxynonan-4-yloxy)nonan-2-ol is CCCCCC(CC(C)O)OC(CCCCC)CC(C)O.
What is the InChIKey of 4-(2-hydroxynonan-4-yloxy)nonan-2-ol?
The InChIKey is PASQFGVYJUVENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O3/c1-5-7-9-11-17(13-15(3)19)21-18(14-16(4)20)12-10-8-6-2/h15-20H,5-14H2,1-4H3.
What are the key properties of 4-(2-hydroxynonan-4-yloxy)nonan-2-ol?
4-(2-hydroxynonan-4-yloxy)nonan-2-ol has a molecular weight of 302.50 g/mol, XLogP of 4.44, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxynonan-4-yloxy)nonan-2-ol is sourced from PubChem (CID 70302296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).