(4Z)-nona-4,8-dien-2,6-diyn-1-ol

C9H8O — CID 135038076

IUPAC(4Z)-nona-4,8-dien-2,6-diyn-1-ol
SMILESC=CC#C/C=C\C#CCO
InChIInChI=1S/C9H8O/c1-2-3-4-5-6-7-8-9-10/h2,5-6,10H,1,9H2/b6-5-
InChIKeyKSTMJOJOPDGMOA-WAYWQWQTSA-N
MW132.16 g/mol
LogP0.73
Rot. Bonds

About (4Z)-nona-4,8-dien-2,6-diyn-1-ol

(4Z)-nona-4,8-dien-2,6-diyn-1-ol (PubChem CID 135038076) has the molecular formula C9H8O and a molecular weight of 132.16 g/mol. Its IUPAC name is (4Z)-nona-4,8-dien-2,6-diyn-1-ol.

Molecular Properties

Compound Name(4Z)-nona-4,8-dien-2,6-diyn-1-ol
PubChem CID135038076
Molecular FormulaC9H8O
Molecular Weight132.16 g/mol
Exact Mass132.06
IUPAC Name(4Z)-nona-4,8-dien-2,6-diyn-1-ol
SMILESC=CC#C/C=C\C#CCO
InChIInChI=1S/C9H8O/c1-2-3-4-5-6-7-8-9-10/h2,5-6,10H,1,9H2/b6-5-
InChIKeyKSTMJOJOPDGMOA-WAYWQWQTSA-N
XLogP0.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4Z)-nona-4,8-dien-2,6-diyn-1-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4Z)-nona-4,8-dien-2,6-diyn-1-ol?
The IUPAC name of (4Z)-nona-4,8-dien-2,6-diyn-1-ol (CID 135038076) is (4Z)-nona-4,8-dien-2,6-diyn-1-ol.
What is the SMILES notation for (4Z)-nona-4,8-dien-2,6-diyn-1-ol?
The canonical SMILES for (4Z)-nona-4,8-dien-2,6-diyn-1-ol is C=CC#C/C=C\C#CCO.
What is the InChIKey of (4Z)-nona-4,8-dien-2,6-diyn-1-ol?
The InChIKey is KSTMJOJOPDGMOA-WAYWQWQTSA-N. The full InChI is InChI=1S/C9H8O/c1-2-3-4-5-6-7-8-9-10/h2,5-6,10H,1,9H2/b6-5-.
What are the key properties of (4Z)-nona-4,8-dien-2,6-diyn-1-ol?
(4Z)-nona-4,8-dien-2,6-diyn-1-ol has a molecular weight of 132.16 g/mol, XLogP of 0.73, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-nona-4,8-dien-2,6-diyn-1-ol is sourced from PubChem (CID 135038076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).