tridec-2-ene-1,10,11-triol

C13H26O3 — CID 163934524

IUPACtridec-2-ene-1,10,11-triol
SMILESCCC(O)C(O)CCCCCCC=CCO
InChIInChI=1S/C13H26O3/c1-2-12(15)13(16)10-8-6-4-3-5-7-9-11-14/h7,9,12-16H,2-6,8,10-11H2,1H3
InChIKeyPIRRLZYBYQVKLG-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.01
Rot. Bonds10

About tridec-2-ene-1,10,11-triol

tridec-2-ene-1,10,11-triol (PubChem CID 163934524) has the molecular formula C13H26O3 and a molecular weight of 230.35 g/mol. Its IUPAC name is tridec-2-ene-1,10,11-triol.

Molecular Properties

Compound Nametridec-2-ene-1,10,11-triol
PubChem CID163934524
Molecular FormulaC13H26O3
Molecular Weight230.35 g/mol
Exact Mass230.19
IUPAC Nametridec-2-ene-1,10,11-triol
SMILESCCC(O)C(O)CCCCCCC=CCO
InChIInChI=1S/C13H26O3/c1-2-12(15)13(16)10-8-6-4-3-5-7-9-11-14/h7,9,12-16H,2-6,8,10-11H2,1H3
InChIKeyPIRRLZYBYQVKLG-UHFFFAOYSA-N
XLogP2.01
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E,6S,7S)-nonadec-2-ene-1,6,7-triol
CID 11347574
(Z)-octacos-19-ene-10,11-diol
CID 87651448
(Z,17R,18R)-17,18-dihydroxyicos-5-enoic acid
CID 131704448
(E)-heptadec-9-ene-6,7-diol
CID 173310595
(Z)-8-methylnon-2-en-1-ol
CID 14353387
(E)-nonadec-2-en-1-ol
CID 10869774
(2E,13Z)-octadeca-2,13-dien-1-ol
CID 5283306
octadeca-2,13-dien-1-ol
CID 543270
(11Z)-icosa-2,11-dien-1-ol
CID 173009253
(E)-undec-2-en-1-ol
CID 5365004
17,18-dihydroxyicosa-2,4,6,8,10-pentaenoic acid
CID 87070327
11-(20-hydroxyicos-18-en-10-yloxy)icos-2-en-1-ol
CID 57126628

Frequently Asked Questions

What is the IUPAC name of tridec-2-ene-1,10,11-triol?
The IUPAC name of tridec-2-ene-1,10,11-triol (CID 163934524) is tridec-2-ene-1,10,11-triol.
What is the SMILES notation for tridec-2-ene-1,10,11-triol?
The canonical SMILES for tridec-2-ene-1,10,11-triol is CCC(O)C(O)CCCCCCC=CCO.
What is the InChIKey of tridec-2-ene-1,10,11-triol?
The InChIKey is PIRRLZYBYQVKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3/c1-2-12(15)13(16)10-8-6-4-3-5-7-9-11-14/h7,9,12-16H,2-6,8,10-11H2,1H3.
What are the key properties of tridec-2-ene-1,10,11-triol?
tridec-2-ene-1,10,11-triol has a molecular weight of 230.35 g/mol, XLogP of 2.01, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tridec-2-ene-1,10,11-triol is sourced from PubChem (CID 163934524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).