(8E)-undeca-1,8-dien-5-yne-3,7-diol

C11H16O2 — CID 121232665

IUPAC(8E)-undeca-1,8-dien-5-yne-3,7-diol
SMILESC=CC(O)CC#CC(O)/C=C/CC
InChIInChI=1S/C11H16O2/c1-3-5-7-11(13)9-6-8-10(12)4-2/h4-5,7,10-13H,2-3,8H2,1H3/b7-5+
InChIKeyPGQGHRFGAAUNBD-FNORWQNLSA-N
MW180.25 g/mol
LogP1.25
Rot. Bonds4

About (8E)-undeca-1,8-dien-5-yne-3,7-diol

(8E)-undeca-1,8-dien-5-yne-3,7-diol (PubChem CID 121232665) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is (8E)-undeca-1,8-dien-5-yne-3,7-diol.

Molecular Properties

Compound Name(8E)-undeca-1,8-dien-5-yne-3,7-diol
PubChem CID121232665
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name(8E)-undeca-1,8-dien-5-yne-3,7-diol
SMILESC=CC(O)CC#CC(O)/C=C/CC
InChIInChI=1S/C11H16O2/c1-3-5-7-11(13)9-6-8-10(12)4-2/h4-5,7,10-13H,2-3,8H2,1H3/b7-5+
InChIKeyPGQGHRFGAAUNBD-FNORWQNLSA-N
XLogP1.25
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (8E)-undeca-1,8-dien-5-yne-3,7-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Cicutoxin
CID 25265910
Falcarindiol
CID 5281148
3-Octen-2-ol
CID 42538
3-Octen-2-ol, (3E)-
CID 5358336
1,9-Heptadecadiene-4,6-diyne-3,8-diol
CID 6436239
Heptadeca-1,9-diene-4,6-diyne-3,8-diol
CID 5317309
Virol B
CID 10753985
Npc177874
CID 5807986
Hex-4-en-3-ol
CID 5366234
Safynol
CID 6442707
Oplopandiol
CID 6474833
Dendroarboreol A
CID 5469787

Frequently Asked Questions

What is the IUPAC name of (8E)-undeca-1,8-dien-5-yne-3,7-diol?
The IUPAC name of (8E)-undeca-1,8-dien-5-yne-3,7-diol (CID 121232665) is (8E)-undeca-1,8-dien-5-yne-3,7-diol.
What is the SMILES notation for (8E)-undeca-1,8-dien-5-yne-3,7-diol?
The canonical SMILES for (8E)-undeca-1,8-dien-5-yne-3,7-diol is C=CC(O)CC#CC(O)/C=C/CC.
What is the InChIKey of (8E)-undeca-1,8-dien-5-yne-3,7-diol?
The InChIKey is PGQGHRFGAAUNBD-FNORWQNLSA-N. The full InChI is InChI=1S/C11H16O2/c1-3-5-7-11(13)9-6-8-10(12)4-2/h4-5,7,10-13H,2-3,8H2,1H3/b7-5+.
What are the key properties of (8E)-undeca-1,8-dien-5-yne-3,7-diol?
(8E)-undeca-1,8-dien-5-yne-3,7-diol has a molecular weight of 180.25 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8E)-undeca-1,8-dien-5-yne-3,7-diol is sourced from PubChem (CID 121232665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).