pentadecane-1,15-diol

C15H32O2 — CID 518994

IUPACpentadecane-1,15-diol
SMILESOCCCCCCCCCCCCCCCO
InChIInChI=1S/C15H32O2/c16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17/h16-17H,1-15H2
InChIKeyZBPYFGWSQQFVCJ-UHFFFAOYSA-N
MW244.42 g/mol
LogP4.04
Rot. Bonds14

About pentadecane-1,15-diol

pentadecane-1,15-diol (PubChem CID 518994) has the molecular formula C15H32O2 and a molecular weight of 244.42 g/mol. Its IUPAC name is pentadecane-1,15-diol.

Molecular Properties

Compound Namepentadecane-1,15-diol
PubChem CID518994
Molecular FormulaC15H32O2
Molecular Weight244.42 g/mol
Exact Mass244.24
IUPAC Namepentadecane-1,15-diol
SMILESOCCCCCCCCCCCCCCCO
InChIInChI=1S/C15H32O2/c16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17/h16-17H,1-15H2
InChIKeyZBPYFGWSQQFVCJ-UHFFFAOYSA-N
XLogP4.04
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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trioctacontane-1,83-diol
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tricosane-1,23-diol
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dodecane-1,12-diol;tridecane-1,13-diol
CID 87338508
tris(docosane-1,22-diol);octakis(heptadecane-1,17-diol)
CID 159258975
CID 158555375
CID 158555375
hexane-1,6-diol;hydroiodide
CID 175146639
methanediol;pentane-1,5-diol
CID 90027781
methane;tridecane-1,13-diol
CID 174975453
butane-1,4-diol;zinc
CID 170696072
CID 157146691
CID 157146691

Frequently Asked Questions

What is the IUPAC name of pentadecane-1,15-diol?
The IUPAC name of pentadecane-1,15-diol (CID 518994) is pentadecane-1,15-diol.
What is the SMILES notation for pentadecane-1,15-diol?
The canonical SMILES for pentadecane-1,15-diol is OCCCCCCCCCCCCCCCO.
What is the InChIKey of pentadecane-1,15-diol?
The InChIKey is ZBPYFGWSQQFVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O2/c16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17/h16-17H,1-15H2.
What are the key properties of pentadecane-1,15-diol?
pentadecane-1,15-diol has a molecular weight of 244.42 g/mol, XLogP of 4.04, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentadecane-1,15-diol is sourced from PubChem (CID 518994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).