hexadecane-1,5,7,9,13,15-hexol

C16H34O6 — CID 126747879

IUPAChexadecane-1,5,7,9,13,15-hexol
SMILESCC(O)CC(O)CCCC(O)CC(O)CC(O)CCCCO
InChIInChI=1S/C16H34O6/c1-12(18)9-13(19)6-4-7-15(21)11-16(22)10-14(20)5-2-3-8-17/h12-22H,2-11H2,1H3
InChIKeyJXHXXKOBGSKPQO-UHFFFAOYSA-N
MW322.44 g/mol
LogP0.31
Rot. Bonds14

About hexadecane-1,5,7,9,13,15-hexol

hexadecane-1,5,7,9,13,15-hexol (PubChem CID 126747879) has the molecular formula C16H34O6 and a molecular weight of 322.44 g/mol. Its IUPAC name is hexadecane-1,5,7,9,13,15-hexol.

Molecular Properties

Compound Namehexadecane-1,5,7,9,13,15-hexol
PubChem CID126747879
Molecular FormulaC16H34O6
Molecular Weight322.44 g/mol
Exact Mass322.24
IUPAC Namehexadecane-1,5,7,9,13,15-hexol
SMILESCC(O)CC(O)CCCC(O)CC(O)CC(O)CCCCO
InChIInChI=1S/C16H34O6/c1-12(18)9-13(19)6-4-7-15(21)11-16(22)10-14(20)5-2-3-8-17/h12-22H,2-11H2,1H3
InChIKeyJXHXXKOBGSKPQO-UHFFFAOYSA-N
XLogP0.31
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.44
LogP ≤ 50.31
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

nonane-1,4,6,8-tetrol
CID 57099696
pentadecane-1,12,14-triol
CID 90439739
(5R,7S)-decane-1,5,7-triol
CID 15527708
10-methylundecane-1,6,8,10-tetrol
CID 90955825
(2R,4R)-decane-2,4-diol
CID 16752205
decane-2,4,7,9-tetrol
CID 87436016
(4S)-6-methylheptane-1,4-diol
CID 88522325
nonane-2,4,6-triol
CID 87069137
(10S)-undecane-1,10-diol
CID 129382222
henicosane-1,20-diol
CID 86247204
hexadecane-1,15-diol
CID 53400630
hexane-1,5-diol;propane-1,3-diol
CID 139532508

Frequently Asked Questions

What is the IUPAC name of hexadecane-1,5,7,9,13,15-hexol?
The IUPAC name of hexadecane-1,5,7,9,13,15-hexol (CID 126747879) is hexadecane-1,5,7,9,13,15-hexol.
What is the SMILES notation for hexadecane-1,5,7,9,13,15-hexol?
The canonical SMILES for hexadecane-1,5,7,9,13,15-hexol is CC(O)CC(O)CCCC(O)CC(O)CC(O)CCCCO.
What is the InChIKey of hexadecane-1,5,7,9,13,15-hexol?
The InChIKey is JXHXXKOBGSKPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O6/c1-12(18)9-13(19)6-4-7-15(21)11-16(22)10-14(20)5-2-3-8-17/h12-22H,2-11H2,1H3.
What are the key properties of hexadecane-1,5,7,9,13,15-hexol?
hexadecane-1,5,7,9,13,15-hexol has a molecular weight of 322.44 g/mol, XLogP of 0.31, 14 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecane-1,5,7,9,13,15-hexol is sourced from PubChem (CID 126747879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).