decane-1,2,8-triol

C10H22O3 — CID 88722169

IUPACdecane-1,2,8-triol
SMILESCCC(O)CCCCCC(O)CO
InChIInChI=1S/C10H22O3/c1-2-9(12)6-4-3-5-7-10(13)8-11/h9-13H,2-8H2,1H3
InChIKeySVQJSXWMHSZBLL-UHFFFAOYSA-N
MW190.28 g/mol
LogP1.06
Rot. Bonds8

About decane-1,2,8-triol

decane-1,2,8-triol (PubChem CID 88722169) has the molecular formula C10H22O3 and a molecular weight of 190.28 g/mol. Its IUPAC name is decane-1,2,8-triol.

Molecular Properties

Compound Namedecane-1,2,8-triol
PubChem CID88722169
Molecular FormulaC10H22O3
Molecular Weight190.28 g/mol
Exact Mass190.16
IUPAC Namedecane-1,2,8-triol
SMILESCCC(O)CCCCCC(O)CO
InChIInChI=1S/C10H22O3/c1-2-9(12)6-4-3-5-7-10(13)8-11/h9-13H,2-8H2,1H3
InChIKeySVQJSXWMHSZBLL-UHFFFAOYSA-N
XLogP1.06
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.28
LogP ≤ 51.06
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

dodecane-1,2,11,12-tetrol
CID 71392430
(2R)-nonadecane-1,2-diol
CID 124511707
decane-1,8-diol
CID 160857478
undecane-1,9-diol
CID 56629636
(2R)-octane-1,2-diol
CID 6994435
(2R)-decane-1,2-diol
CID 10888425
triacontane-1,2-diol
CID 19770548
icosane-1,18-diol
CID 87114916
octane-1,2-diol
CID 159791136
octane-1,6-diol
CID 159745348
tricosane-1,2-diol
CID 42607324
(2S,8R)-8-methyldecane-1,2-diol
CID 11469535

Frequently Asked Questions

What is the IUPAC name of decane-1,2,8-triol?
The IUPAC name of decane-1,2,8-triol (CID 88722169) is decane-1,2,8-triol.
What is the SMILES notation for decane-1,2,8-triol?
The canonical SMILES for decane-1,2,8-triol is CCC(O)CCCCCC(O)CO.
What is the InChIKey of decane-1,2,8-triol?
The InChIKey is SVQJSXWMHSZBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3/c1-2-9(12)6-4-3-5-7-10(13)8-11/h9-13H,2-8H2,1H3.
What are the key properties of decane-1,2,8-triol?
decane-1,2,8-triol has a molecular weight of 190.28 g/mol, XLogP of 1.06, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for decane-1,2,8-triol is sourced from PubChem (CID 88722169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).