hexadecan-5-ol;propane-1,2-diol

C19H42O3 — CID 162138861

IUPAChexadecan-5-ol;propane-1,2-diol
SMILESCC(O)CO.CCCCCCCCCCCC(O)CCCC
InChIInChI=1S/C16H34O.C3H8O2/c1-3-5-7-8-9-10-11-12-13-15-16(17)14-6-4-2;1-3(5)2-4/h16-17H,3-15H2,1-2H3;3-5H,2H2,1H3
InChIKeyZJQVKYDZNHPJLN-UHFFFAOYSA-N
MW318.54 g/mol
LogP4.82
Rot. Bonds14

About hexadecan-5-ol;propane-1,2-diol

hexadecan-5-ol;propane-1,2-diol (PubChem CID 162138861) has the molecular formula C19H42O3 and a molecular weight of 318.54 g/mol. Its IUPAC name is hexadecan-5-ol;propane-1,2-diol.

Molecular Properties

Compound Namehexadecan-5-ol;propane-1,2-diol
PubChem CID162138861
Molecular FormulaC19H42O3
Molecular Weight318.54 g/mol
Exact Mass318.31
IUPAC Namehexadecan-5-ol;propane-1,2-diol
SMILESCC(O)CO.CCCCCCCCCCCC(O)CCCC
InChIInChI=1S/C16H34O.C3H8O2/c1-3-5-7-8-9-10-11-12-13-15-16(17)14-6-4-2;1-3(5)2-4/h16-17H,3-15H2,1-2H3;3-5H,2H2,1H3
InChIKeyZJQVKYDZNHPJLN-UHFFFAOYSA-N
XLogP4.82
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.54
LogP ≤ 54.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

icosane-5,11-diol
CID 170722582
tritetracontan-5-ol
CID 162898528
(5S)-octadecan-5-ol
CID 98231191
icosane-5,10-diol
CID 170722579
octadecane-2,14-diol
CID 170722506
ethanol;nonacosan-10-ol
CID 87536381
tetratetracontan-22-ol
CID 91434437
nonacosane-7,20-diol
CID 174949468
icosan-9-ol
CID 11983377
tetracosan-6-ol
CID 154265400
(7R)-hexatriacontan-7-ol
CID 88529159
icosan-6-ol
CID 19931277

Frequently Asked Questions

What is the IUPAC name of hexadecan-5-ol;propane-1,2-diol?
The IUPAC name of hexadecan-5-ol;propane-1,2-diol (CID 162138861) is hexadecan-5-ol;propane-1,2-diol.
What is the SMILES notation for hexadecan-5-ol;propane-1,2-diol?
The canonical SMILES for hexadecan-5-ol;propane-1,2-diol is CC(O)CO.CCCCCCCCCCCC(O)CCCC.
What is the InChIKey of hexadecan-5-ol;propane-1,2-diol?
The InChIKey is ZJQVKYDZNHPJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O.C3H8O2/c1-3-5-7-8-9-10-11-12-13-15-16(17)14-6-4-2;1-3(5)2-4/h16-17H,3-15H2,1-2H3;3-5H,2H2,1H3.
What are the key properties of hexadecan-5-ol;propane-1,2-diol?
hexadecan-5-ol;propane-1,2-diol has a molecular weight of 318.54 g/mol, XLogP of 4.82, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecan-5-ol;propane-1,2-diol is sourced from PubChem (CID 162138861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).