dodeca-6,11-diene-2,3,10-triol

C12H22O3 — CID 154299102

IUPACdodeca-6,11-diene-2,3,10-triol
SMILESC=CC(O)CCC=CCCC(O)C(C)O
InChIInChI=1S/C12H22O3/c1-3-11(14)8-6-4-5-7-9-12(15)10(2)13/h3-5,10-15H,1,6-9H2,2H3
InChIKeyPSDZLDRKWKNLNI-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.39
Rot. Bonds8

About dodeca-6,11-diene-2,3,10-triol

dodeca-6,11-diene-2,3,10-triol (PubChem CID 154299102) has the molecular formula C12H22O3 and a molecular weight of 214.31 g/mol. Its IUPAC name is dodeca-6,11-diene-2,3,10-triol.

Molecular Properties

Compound Namedodeca-6,11-diene-2,3,10-triol
PubChem CID154299102
Molecular FormulaC12H22O3
Molecular Weight214.31 g/mol
Exact Mass214.16
IUPAC Namedodeca-6,11-diene-2,3,10-triol
SMILESC=CC(O)CCC=CCCC(O)C(C)O
InChIInChI=1S/C12H22O3/c1-3-11(14)8-6-4-5-7-9-12(15)10(2)13/h3-5,10-15H,1,6-9H2,2H3
InChIKeyPSDZLDRKWKNLNI-UHFFFAOYSA-N
XLogP1.39
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

deca-1,6-dien-3-ol
CID 56622854
(2R,3S)-hept-6-ene-2,3-diol
CID 102384670
acetic acid;octa-1,6-dien-3-ol
CID 161210848
(3R,5Z,9R,10E)-dodeca-1,5,10-triene-3,9-diol
CID 15441076
oct-1-en-6-yn-3-ol
CID 22756287
(6E)-2-methylnona-6,8-dien-3-ol
CID 14545535
dec-9-ene-2,3-diol
CID 107008756
dec-7-ene-2,3-diol
CID 142773808
undec-10-ene-2,9-diol
CID 174994390
(11Z,14Z)-icosa-1,11,14-trien-3-ol
CID 176937263
(6E)-3-methylocta-1,6-diene
CID 14140905
6-methylheptane-2,3-diol
CID 57080591

Frequently Asked Questions

What is the IUPAC name of dodeca-6,11-diene-2,3,10-triol?
The IUPAC name of dodeca-6,11-diene-2,3,10-triol (CID 154299102) is dodeca-6,11-diene-2,3,10-triol.
What is the SMILES notation for dodeca-6,11-diene-2,3,10-triol?
The canonical SMILES for dodeca-6,11-diene-2,3,10-triol is C=CC(O)CCC=CCCC(O)C(C)O.
What is the InChIKey of dodeca-6,11-diene-2,3,10-triol?
The InChIKey is PSDZLDRKWKNLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-3-11(14)8-6-4-5-7-9-12(15)10(2)13/h3-5,10-15H,1,6-9H2,2H3.
What are the key properties of dodeca-6,11-diene-2,3,10-triol?
dodeca-6,11-diene-2,3,10-triol has a molecular weight of 214.31 g/mol, XLogP of 1.39, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dodeca-6,11-diene-2,3,10-triol is sourced from PubChem (CID 154299102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).