ethanol;hexadecane

C18H40O — CID 21185421

IUPACethanol;hexadecane
SMILESCCCCCCCCCCCCCCCC.CCO
InChIInChI=1S/C16H34.C2H6O/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;1-2-3/h3-16H2,1-2H3;3H,2H2,1H3
InChIKeyGMEKANQNKQCRDQ-UHFFFAOYSA-N
MW272.52 g/mol
LogP6.49
Rot. Bonds13

About ethanol;hexadecane

ethanol;hexadecane (PubChem CID 21185421) has the molecular formula C18H40O and a molecular weight of 272.52 g/mol. Its IUPAC name is ethanol;hexadecane.

Molecular Properties

Compound Nameethanol;hexadecane
PubChem CID21185421
Molecular FormulaC18H40O
Molecular Weight272.52 g/mol
Exact Mass272.31
IUPAC Nameethanol;hexadecane
SMILESCCCCCCCCCCCCCCCC.CCO
InChIInChI=1S/C16H34.C2H6O/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;1-2-3/h3-16H2,1-2H3;3H,2H2,1H3
InChIKeyGMEKANQNKQCRDQ-UHFFFAOYSA-N
XLogP6.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.52
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethanol;hexadecane 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

ethanol;bis(heptane);bis(hexane)
CID 173110983
ethanol;heptane;methane
CID 160925089
methanediol;nonane
CID 159588378
butane;ethanol;hexane
CID 174644566
ethanol;heptadecan-1-ol
CID 160681961
decane;propan-1-ol
CID 157421705
methanol;undecane
CID 161373911
dohexacontane
CID 522644
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
henoctacontane
CID 22086342
CID 161246447
CID 161246447

Frequently Asked Questions

What is the IUPAC name of ethanol;hexadecane?
The IUPAC name of ethanol;hexadecane (CID 21185421) is ethanol;hexadecane.
What is the SMILES notation for ethanol;hexadecane?
The canonical SMILES for ethanol;hexadecane is CCCCCCCCCCCCCCCC.CCO.
What is the InChIKey of ethanol;hexadecane?
The InChIKey is GMEKANQNKQCRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34.C2H6O/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;1-2-3/h3-16H2,1-2H3;3H,2H2,1H3.
What are the key properties of ethanol;hexadecane?
ethanol;hexadecane has a molecular weight of 272.52 g/mol, XLogP of 6.49, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;hexadecane is sourced from PubChem (CID 21185421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).