16-hydroxyhexadecan-3-one;methane;5-methylhexan-1-amine;molecular hydrogen

C24H55NO2 — CID 156820708

IUPAC16-hydroxyhexadecan-3-one;methane;5-methylhexan-1-amine;molecular hydrogen
SMILESC.CC(C)CCCCN.CCC(=O)CCCCCCCCCCCCCO.[H][H]
InChIInChI=1S/C16H32O2.C7H17N.CH4.H2/c1-2-16(18)14-12-10-8-6-4-3-5-7-9-11-13-15-17;1-7(2)5-3-4-6-8;;/h17H,2-15H2,1H3;7H,3-6,8H2,1-2H3;1H4;1H
InChIKeyZOADXWZNPJUGDY-UHFFFAOYSA-N
MW389.71 g/mol
LogP7.29
Rot. Bonds18

About 16-hydroxyhexadecan-3-one;methane;5-methylhexan-1-amine;molecular hydrogen

16-hydroxyhexadecan-3-one;methane;5-methylhexan-1-amine;molecular hydrogen (PubChem CID 156820708) has the molecular formula C24H55NO2 and a molecular weight of 389.71 g/mol. Its IUPAC name is 16-hydroxyhexadecan-3-one;methane;5-methylhexan-1-amine;molecular hydrogen.

Molecular Properties

Compound Name16-hydroxyhexadecan-3-one;methane;5-methylhexan-1-amine;molecular hydrogen
PubChem CID156820708
Molecular FormulaC24H55NO2
Molecular Weight389.71 g/mol
Exact Mass389.42
IUPAC Name16-hydroxyhexadecan-3-one;methane;5-methylhexan-1-amine;molecular hydrogen
SMILESC.CC(C)CCCCN.CCC(=O)CCCCCCCCCCCCCO.[H][H]
InChIInChI=1S/C16H32O2.C7H17N.CH4.H2/c1-2-16(18)14-12-10-8-6-4-3-5-7-9-11-13-15-17;1-7(2)5-3-4-6-8;;/h17H,2-15H2,1H3;7H,3-6,8H2,1-2H3;1H4;1H
InChIKeyZOADXWZNPJUGDY-UHFFFAOYSA-N
XLogP7.29
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.71
LogP ≤ 57.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 16-hydroxyhexadecan-3-one;methane;5-methylhexan-1-amine;molecular hydrogen 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

14-aminotetradecan-3-one
CID 178176766
decanedioic acid;bis(6-methylheptan-1-ol)
CID 175516385
ethane;7-methyloctan-3-one
CID 142816942
2,16-dimethylheptadecan-6-one
CID 158111781
36-methylheptatriacontan-1-amine
CID 134324173
methane;undecane-3,9-dione
CID 158816586
35-methylhexatriacontan-18-one
CID 154265958
10-amino-2-methyldecan-4-one
CID 116551412
1-hydroxy-8-methylnonan-4-one
CID 87402189
5-aminopentan-1-ol;octanoic acid
CID 21259313
2-methyloctane;molecular hydrogen;nonane;nonan-5-one;hydrate
CID 158949814
11-(4-aminobutyl)henicosane-2,9,12,19-tetrone
CID 163693640

Frequently Asked Questions

What is the IUPAC name of 16-hydroxyhexadecan-3-one;methane;5-methylhexan-1-amine;molecular hydrogen?
The IUPAC name of 16-hydroxyhexadecan-3-one;methane;5-methylhexan-1-amine;molecular hydrogen (CID 156820708) is 16-hydroxyhexadecan-3-one;methane;5-methylhexan-1-amine;molecular hydrogen.
What is the SMILES notation for 16-hydroxyhexadecan-3-one;methane;5-methylhexan-1-amine;molecular hydrogen?
The canonical SMILES for 16-hydroxyhexadecan-3-one;methane;5-methylhexan-1-amine;molecular hydrogen is C.CC(C)CCCCN.CCC(=O)CCCCCCCCCCCCCO.[H][H].
What is the InChIKey of 16-hydroxyhexadecan-3-one;methane;5-methylhexan-1-amine;molecular hydrogen?
The InChIKey is ZOADXWZNPJUGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2.C7H17N.CH4.H2/c1-2-16(18)14-12-10-8-6-4-3-5-7-9-11-13-15-17;1-7(2)5-3-4-6-8;;/h17H,2-15H2,1H3;7H,3-6,8H2,1-2H3;1H4;1H.
What are the key properties of 16-hydroxyhexadecan-3-one;methane;5-methylhexan-1-amine;molecular hydrogen?
16-hydroxyhexadecan-3-one;methane;5-methylhexan-1-amine;molecular hydrogen has a molecular weight of 389.71 g/mol, XLogP of 7.29, 18 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 16-hydroxyhexadecan-3-one;methane;5-methylhexan-1-amine;molecular hydrogen is sourced from PubChem (CID 156820708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).