ethane-1,2-diol;nonan-1-ol

C11H26O3 — CID 174845744

IUPACethane-1,2-diol;nonan-1-ol
SMILESCCCCCCCCCO.OCCO
InChIInChI=1S/C9H20O.C2H6O2/c1-2-3-4-5-6-7-8-9-10;3-1-2-4/h10H,2-9H2,1H3;3-4H,1-2H2
InChIKeyXAJNRXAFMKOQOW-UHFFFAOYSA-N
MW206.33 g/mol
LogP1.70
Rot. Bonds8

About ethane-1,2-diol;nonan-1-ol

ethane-1,2-diol;nonan-1-ol (PubChem CID 174845744) has the molecular formula C11H26O3 and a molecular weight of 206.33 g/mol. Its IUPAC name is ethane-1,2-diol;nonan-1-ol.

Molecular Properties

Compound Nameethane-1,2-diol;nonan-1-ol
PubChem CID174845744
Molecular FormulaC11H26O3
Molecular Weight206.33 g/mol
Exact Mass206.19
IUPAC Nameethane-1,2-diol;nonan-1-ol
SMILESCCCCCCCCCO.OCCO
InChIInChI=1S/C9H20O.C2H6O2/c1-2-3-4-5-6-7-8-9-10;3-1-2-4/h10H,2-9H2,1H3;3-4H,1-2H2
InChIKeyXAJNRXAFMKOQOW-UHFFFAOYSA-N
XLogP1.70
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane-1,2-diol;nonan-1-ol 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

decane;decan-1-ol
CID 22418527
dohexacontan-1-ol
CID 22501426
dodecan-1-ol;tetradecan-1-ol
CID 21281432
decane-1,10-diol;heptan-1-ol;nonan-1-ol;pentan-1-ol;tridecan-1-ol
CID 159582596
nonadecakis(heptane);nonan-1-ol
CID 173279398
heptan-1-ol;nonan-1-ol
CID 160785033
heptatriacontan-1-ol
CID 537071
undecan-1-ol
CID 122455065
hexan-1-ol;nonan-1-ol
CID 159104620
nonan-1-ol;tetradecan-1-ol
CID 174944242
hexan-1-ol;nonane
CID 175106830
octan-1-ol;pentane-1,5-diol
CID 174867151

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;nonan-1-ol?
The IUPAC name of ethane-1,2-diol;nonan-1-ol (CID 174845744) is ethane-1,2-diol;nonan-1-ol.
What is the SMILES notation for ethane-1,2-diol;nonan-1-ol?
The canonical SMILES for ethane-1,2-diol;nonan-1-ol is CCCCCCCCCO.OCCO.
What is the InChIKey of ethane-1,2-diol;nonan-1-ol?
The InChIKey is XAJNRXAFMKOQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O.C2H6O2/c1-2-3-4-5-6-7-8-9-10;3-1-2-4/h10H,2-9H2,1H3;3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;nonan-1-ol?
ethane-1,2-diol;nonan-1-ol has a molecular weight of 206.33 g/mol, XLogP of 1.70, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;nonan-1-ol is sourced from PubChem (CID 174845744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).