undecane-1,1,9,11-tetrol

C11H24O4 — CID 123331969

IUPACundecane-1,1,9,11-tetrol
SMILESOCCC(O)CCCCCCCC(O)O
InChIInChI=1S/C11H24O4/c12-9-8-10(13)6-4-2-1-3-5-7-11(14)15/h10-15H,1-9H2
InChIKeyPRNVFNLSNCJJBQ-UHFFFAOYSA-N
MW220.31 g/mol
LogP0.77
Rot. Bonds10

About undecane-1,1,9,11-tetrol

undecane-1,1,9,11-tetrol (PubChem CID 123331969) has the molecular formula C11H24O4 and a molecular weight of 220.31 g/mol. Its IUPAC name is undecane-1,1,9,11-tetrol.

Molecular Properties

Compound Nameundecane-1,1,9,11-tetrol
PubChem CID123331969
Molecular FormulaC11H24O4
Molecular Weight220.31 g/mol
Exact Mass220.17
IUPAC Nameundecane-1,1,9,11-tetrol
SMILESOCCC(O)CCCCCCCC(O)O
InChIInChI=1S/C11H24O4/c12-9-8-10(13)6-4-2-1-3-5-7-11(14)15/h10-15H,1-9H2
InChIKeyPRNVFNLSNCJJBQ-UHFFFAOYSA-N
XLogP0.77
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 50.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

hexadecane-1,3,16-triol
CID 90439794
octadecane-1,3,18-triol
CID 90439804
heptacosane-1,10,27-triol
CID 56980866
hexane-1,1,4,6-tetrol
CID 56633159
hexacosane-1,8,19,26-tetrol
CID 167004997
hexadecane-1,8,16-triol
CID 11403100
(3S,25S)-hexacosane-1,3,25-triol
CID 163073285
octane-1,1,8,8-tetrol
CID 88519685
tridecane-1,4,13-triol
CID 90439734
9-(2-hydroxyethyl)hexadecane-1,1,16-triol
CID 87737483
14-ethoxytetradecane-1,3-diol
CID 57222760
dodecane-1,2,11,12-tetrol
CID 71392430

Frequently Asked Questions

What is the IUPAC name of undecane-1,1,9,11-tetrol?
The IUPAC name of undecane-1,1,9,11-tetrol (CID 123331969) is undecane-1,1,9,11-tetrol.
What is the SMILES notation for undecane-1,1,9,11-tetrol?
The canonical SMILES for undecane-1,1,9,11-tetrol is OCCC(O)CCCCCCCC(O)O.
What is the InChIKey of undecane-1,1,9,11-tetrol?
The InChIKey is PRNVFNLSNCJJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O4/c12-9-8-10(13)6-4-2-1-3-5-7-11(14)15/h10-15H,1-9H2.
What are the key properties of undecane-1,1,9,11-tetrol?
undecane-1,1,9,11-tetrol has a molecular weight of 220.31 g/mol, XLogP of 0.77, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for undecane-1,1,9,11-tetrol is sourced from PubChem (CID 123331969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).