2-(2-propylnonoxy)ethanol

C14H30O2 — CID 168837428

IUPAC2-(2-propylnonoxy)ethanol
SMILESCCCCCCCC(CCC)COCCO
InChIInChI=1S/C14H30O2/c1-3-5-6-7-8-10-14(9-4-2)13-16-12-11-15/h14-15H,3-13H2,1-2H3
InChIKeyAQBHSQZICQGNNW-UHFFFAOYSA-N
MW230.39 g/mol
LogP3.77
Rot. Bonds12

About 2-(2-propylnonoxy)ethanol

2-(2-propylnonoxy)ethanol (PubChem CID 168837428) has the molecular formula C14H30O2 and a molecular weight of 230.39 g/mol. Its IUPAC name is 2-(2-propylnonoxy)ethanol.

Molecular Properties

Compound Name2-(2-propylnonoxy)ethanol
PubChem CID168837428
Molecular FormulaC14H30O2
Molecular Weight230.39 g/mol
Exact Mass230.22
IUPAC Name2-(2-propylnonoxy)ethanol
SMILESCCCCCCCC(CCC)COCCO
InChIInChI=1S/C14H30O2/c1-3-5-6-7-8-10-14(9-4-2)13-16-12-11-15/h14-15H,3-13H2,1-2H3
InChIKeyAQBHSQZICQGNNW-UHFFFAOYSA-N
XLogP3.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.39
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2-propylnonoxy)ethanol 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

2-[2-(2-hydroxyethoxy)ethoxy]ethanol;4-(2-propylheptoxymethyl)nonane
CID 175607007
potassium;dodecan-1-ol;2-dodecoxyethanol;2-(2-hydroxyethoxy)ethanol;methane;2-propylheptan-1-ol;2-(2-propylheptoxy)ethanol;hydroxide
CID 158486062
potassium;dodecan-1-ol;2-dodecoxyethanol;2-(2-hydroxyethoxy)ethanol;methane;2-propylheptan-1-ol;2-(2-propylheptoxy)ethanol;hydroxide
CID 158459561
4-(butoxymethyl)nonane
CID 87066766
6-(heptoxymethyl)tridecane
CID 87840359
7-(nonoxymethyl)pentadecane
CID 86224814
10-(butoxymethyl)henicosane
CID 87840055
9-(tetradecoxymethyl)nonadecane
CID 142746550
4-(2-propylheptoxymethyl)nonane
CID 56652319
15-(2-tetradecyloctadecoxymethyl)hentriacontane
CID 19909391
2-(4-butyldecoxy)ethanol
CID 166649163
4-(ethoxymethyl)nonane
CID 87066523

Frequently Asked Questions

What is the IUPAC name of 2-(2-propylnonoxy)ethanol?
The IUPAC name of 2-(2-propylnonoxy)ethanol (CID 168837428) is 2-(2-propylnonoxy)ethanol.
What is the SMILES notation for 2-(2-propylnonoxy)ethanol?
The canonical SMILES for 2-(2-propylnonoxy)ethanol is CCCCCCCC(CCC)COCCO.
What is the InChIKey of 2-(2-propylnonoxy)ethanol?
The InChIKey is AQBHSQZICQGNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2/c1-3-5-6-7-8-10-14(9-4-2)13-16-12-11-15/h14-15H,3-13H2,1-2H3.
What are the key properties of 2-(2-propylnonoxy)ethanol?
2-(2-propylnonoxy)ethanol has a molecular weight of 230.39 g/mol, XLogP of 3.77, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propylnonoxy)ethanol is sourced from PubChem (CID 168837428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).