undecane-1,9-diol

C11H24O2 — CID 56629636

IUPACundecane-1,9-diol
SMILESCCC(O)CCCCCCCCO
InChIInChI=1S/C11H24O2/c1-2-11(13)9-7-5-3-4-6-8-10-12/h11-13H,2-10H2,1H3
InChIKeyWDKCVBCYXJLPQI-UHFFFAOYSA-N
MW188.31 g/mol
LogP2.48
Rot. Bonds9

About undecane-1,9-diol

undecane-1,9-diol (PubChem CID 56629636) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is undecane-1,9-diol.

Molecular Properties

Compound Nameundecane-1,9-diol
PubChem CID56629636
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Nameundecane-1,9-diol
SMILESCCC(O)CCCCCCCCO
InChIInChI=1S/C11H24O2/c1-2-11(13)9-7-5-3-4-6-8-10-12/h11-13H,2-10H2,1H3
InChIKeyWDKCVBCYXJLPQI-UHFFFAOYSA-N
XLogP2.48
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 52.48
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

decane-1,8-diol
CID 160857478
icosane-1,18-diol
CID 87114916
octane-1,6-diol
CID 159745348
(5R)-heptane-1,5-diol
CID 170849468
decane-1,2,8-triol
CID 88722169
heptacosane-1,10,27-triol
CID 56980866
hexacosane-1,8,19,26-tetrol
CID 167004997
hexadecane-1,8,16-triol
CID 11403100
(9R)-octadecane-1,9-diol
CID 10968142
docosane-1,11-diol
CID 54487610
tetracosane-1,19-diol
CID 175364022
heptadecane-1,11-diol
CID 130297922

Frequently Asked Questions

What is the IUPAC name of undecane-1,9-diol?
The IUPAC name of undecane-1,9-diol (CID 56629636) is undecane-1,9-diol.
What is the SMILES notation for undecane-1,9-diol?
The canonical SMILES for undecane-1,9-diol is CCC(O)CCCCCCCCO.
What is the InChIKey of undecane-1,9-diol?
The InChIKey is WDKCVBCYXJLPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2/c1-2-11(13)9-7-5-3-4-6-8-10-12/h11-13H,2-10H2,1H3.
What are the key properties of undecane-1,9-diol?
undecane-1,9-diol has a molecular weight of 188.31 g/mol, XLogP of 2.48, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for undecane-1,9-diol is sourced from PubChem (CID 56629636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).