undecane-1,1,1-triol

C11H24O3 — CID 25021494

IUPACundecane-1,1,1-triol
SMILESCCCCCCCCCCC(O)(O)O
InChIInChI=1S/C11H24O3/c1-2-3-4-5-6-7-8-9-10-11(12,13)14/h12-14H,2-10H2,1H3
InChIKeyUTDJIBQUEQFXIS-UHFFFAOYSA-N
MW204.31 g/mol
LogP2.15
Rot. Bonds9

About undecane-1,1,1-triol

undecane-1,1,1-triol (PubChem CID 25021494) has the molecular formula C11H24O3 and a molecular weight of 204.31 g/mol. Its IUPAC name is undecane-1,1,1-triol.

Molecular Properties

Compound Nameundecane-1,1,1-triol
PubChem CID25021494
Molecular FormulaC11H24O3
Molecular Weight204.31 g/mol
Exact Mass204.17
IUPAC Nameundecane-1,1,1-triol
SMILESCCCCCCCCCCC(O)(O)O
InChIInChI=1S/C11H24O3/c1-2-3-4-5-6-7-8-9-10-11(12,13)14/h12-14H,2-10H2,1H3
InChIKeyUTDJIBQUEQFXIS-UHFFFAOYSA-N
XLogP2.15
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of undecane-1,1,1-triol?
The IUPAC name of undecane-1,1,1-triol (CID 25021494) is undecane-1,1,1-triol.
What is the SMILES notation for undecane-1,1,1-triol?
The canonical SMILES for undecane-1,1,1-triol is CCCCCCCCCCC(O)(O)O.
What is the InChIKey of undecane-1,1,1-triol?
The InChIKey is UTDJIBQUEQFXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O3/c1-2-3-4-5-6-7-8-9-10-11(12,13)14/h12-14H,2-10H2,1H3.
What are the key properties of undecane-1,1,1-triol?
undecane-1,1,1-triol has a molecular weight of 204.31 g/mol, XLogP of 2.15, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for undecane-1,1,1-triol is sourced from PubChem (CID 25021494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).