9,9-dimethoxynona-1,3,5,7-tetraen-1-ol

C11H16O3 — CID 162293965

IUPAC9,9-dimethoxynona-1,3,5,7-tetraen-1-ol
SMILESCOC(C=CC=CC=CC=CO)OC
InChIInChI=1S/C11H16O3/c1-13-11(14-2)9-7-5-3-4-6-8-10-12/h3-12H,1-2H3
InChIKeyOBSUNPAQJLOIHD-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.35
Rot. Bonds6

About 9,9-dimethoxynona-1,3,5,7-tetraen-1-ol

9,9-dimethoxynona-1,3,5,7-tetraen-1-ol (PubChem CID 162293965) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 9,9-dimethoxynona-1,3,5,7-tetraen-1-ol.

Molecular Properties

Compound Name9,9-dimethoxynona-1,3,5,7-tetraen-1-ol
PubChem CID162293965
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name9,9-dimethoxynona-1,3,5,7-tetraen-1-ol
SMILESCOC(C=CC=CC=CC=CO)OC
InChIInChI=1S/C11H16O3/c1-13-11(14-2)9-7-5-3-4-6-8-10-12/h3-12H,1-2H3
InChIKeyOBSUNPAQJLOIHD-UHFFFAOYSA-N
XLogP2.35
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9,9-dimethoxynona-1,3,5,7-tetraen-1-ol?
The IUPAC name of 9,9-dimethoxynona-1,3,5,7-tetraen-1-ol (CID 162293965) is 9,9-dimethoxynona-1,3,5,7-tetraen-1-ol.
What is the SMILES notation for 9,9-dimethoxynona-1,3,5,7-tetraen-1-ol?
The canonical SMILES for 9,9-dimethoxynona-1,3,5,7-tetraen-1-ol is COC(C=CC=CC=CC=CO)OC.
What is the InChIKey of 9,9-dimethoxynona-1,3,5,7-tetraen-1-ol?
The InChIKey is OBSUNPAQJLOIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-13-11(14-2)9-7-5-3-4-6-8-10-12/h3-12H,1-2H3.
What are the key properties of 9,9-dimethoxynona-1,3,5,7-tetraen-1-ol?
9,9-dimethoxynona-1,3,5,7-tetraen-1-ol has a molecular weight of 196.25 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethoxynona-1,3,5,7-tetraen-1-ol is sourced from PubChem (CID 162293965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).