(3S)-1,1,3-triethoxynonane

C15H32O3 — CID 3084722

IUPAC(3S)-1,1,3-triethoxynonane
SMILESCCCCCC[C@@H](CC(OCC)OCC)OCC
InChIInChI=1S/C15H32O3/c1-5-9-10-11-12-14(16-6-2)13-15(17-7-3)18-8-4/h14-15H,5-13H2,1-4H3/t14-/m0/s1
InChIKeyJWXUYKOCPKYCHJ-AWEZNQCLSA-N
MW260.42 g/mol
LogP4.15
Rot. Bonds13

About (3S)-1,1,3-triethoxynonane

(3S)-1,1,3-triethoxynonane (PubChem CID 3084722) has the molecular formula C15H32O3 and a molecular weight of 260.42 g/mol. Its IUPAC name is (3S)-1,1,3-triethoxynonane.

Molecular Properties

Compound Name(3S)-1,1,3-triethoxynonane
PubChem CID3084722
Molecular FormulaC15H32O3
Molecular Weight260.42 g/mol
Exact Mass260.24
IUPAC Name(3S)-1,1,3-triethoxynonane
SMILESCCCCCC[C@@H](CC(OCC)OCC)OCC
InChIInChI=1S/C15H32O3/c1-5-9-10-11-12-14(16-6-2)13-15(17-7-3)18-8-4/h14-15H,5-13H2,1-4H3/t14-/m0/s1
InChIKeyJWXUYKOCPKYCHJ-AWEZNQCLSA-N
XLogP4.15
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (3S)-1,1,3-triethoxynonane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-ethoxyoctadecane
CID 87148376
(1R,3R)-1-ethoxy-1,3-dimethoxydodecane
CID 98092966
2-ethoxy-1-iododecane
CID 13149348
2-ethoxy-N-(2-ethoxydecyl)decan-1-amine
CID 155672905
5-ethoxynonane
CID 91187482
1,4-diethoxydecane
CID 140997951
4-(2,2-diethoxyethyl)tridecan-1-amine
CID 150434476
4-ethoxydodecane;sulfuric acid
CID 87841741
4-ethoxytridecan-2-one
CID 89225856
1,6-diethoxydecane
CID 150917298
16-tetratriacontan-16-yloxytetratriacontane
CID 91150918
6-tricosan-6-yloxytricosane
CID 57279617

Frequently Asked Questions

What is the IUPAC name of (3S)-1,1,3-triethoxynonane?
The IUPAC name of (3S)-1,1,3-triethoxynonane (CID 3084722) is (3S)-1,1,3-triethoxynonane.
What is the SMILES notation for (3S)-1,1,3-triethoxynonane?
The canonical SMILES for (3S)-1,1,3-triethoxynonane is CCCCCC[C@@H](CC(OCC)OCC)OCC.
What is the InChIKey of (3S)-1,1,3-triethoxynonane?
The InChIKey is JWXUYKOCPKYCHJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H32O3/c1-5-9-10-11-12-14(16-6-2)13-15(17-7-3)18-8-4/h14-15H,5-13H2,1-4H3/t14-/m0/s1.
What are the key properties of (3S)-1,1,3-triethoxynonane?
(3S)-1,1,3-triethoxynonane has a molecular weight of 260.42 g/mol, XLogP of 4.15, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1,1,3-triethoxynonane is sourced from PubChem (CID 3084722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).