pentadecane-1,12,14-triol

C15H32O3 — CID 90439739

IUPACpentadecane-1,12,14-triol
SMILESCC(O)CC(O)CCCCCCCCCCCO
InChIInChI=1S/C15H32O3/c1-14(17)13-15(18)11-9-7-5-3-2-4-6-8-10-12-16/h14-18H,2-13H2,1H3
InChIKeyUXFDUCBPORGFLP-UHFFFAOYSA-N
MW260.42 g/mol
LogP3.01
Rot. Bonds13

About pentadecane-1,12,14-triol

pentadecane-1,12,14-triol (PubChem CID 90439739) has the molecular formula C15H32O3 and a molecular weight of 260.42 g/mol. Its IUPAC name is pentadecane-1,12,14-triol.

Molecular Properties

Compound Namepentadecane-1,12,14-triol
PubChem CID90439739
Molecular FormulaC15H32O3
Molecular Weight260.42 g/mol
Exact Mass260.24
IUPAC Namepentadecane-1,12,14-triol
SMILESCC(O)CC(O)CCCCCCCCCCCO
InChIInChI=1S/C15H32O3/c1-14(17)13-15(18)11-9-7-5-3-2-4-6-8-10-12-16/h14-18H,2-13H2,1H3
InChIKeyUXFDUCBPORGFLP-UHFFFAOYSA-N
XLogP3.01
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 53.01
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

hexadecane-1,5,7,9,13,15-hexol
CID 126747879
nonane-1,4,6,8-tetrol
CID 57099696
(2R,4R)-decane-2,4-diol
CID 16752205
(10S)-undecane-1,10-diol
CID 129382222
henicosane-1,20-diol
CID 86247204
hexadecane-1,15-diol
CID 53400630
heptacosane-1,10,27-triol
CID 56980866
hexacosane-1,8,19,26-tetrol
CID 167004997
hexadecane-1,8,16-triol
CID 11403100
17-methyloctadecane-1,11-diol
CID 91311361
tridecane-1,4,13-triol
CID 90439734
(5R,7S)-decane-1,5,7-triol
CID 15527708

Frequently Asked Questions

What is the IUPAC name of pentadecane-1,12,14-triol?
The IUPAC name of pentadecane-1,12,14-triol (CID 90439739) is pentadecane-1,12,14-triol.
What is the SMILES notation for pentadecane-1,12,14-triol?
The canonical SMILES for pentadecane-1,12,14-triol is CC(O)CC(O)CCCCCCCCCCCO.
What is the InChIKey of pentadecane-1,12,14-triol?
The InChIKey is UXFDUCBPORGFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O3/c1-14(17)13-15(18)11-9-7-5-3-2-4-6-8-10-12-16/h14-18H,2-13H2,1H3.
What are the key properties of pentadecane-1,12,14-triol?
pentadecane-1,12,14-triol has a molecular weight of 260.42 g/mol, XLogP of 3.01, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pentadecane-1,12,14-triol is sourced from PubChem (CID 90439739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).