1,1-dimethoxynon-2-en-4-ol

C11H22O3 — CID 57347575

IUPAC1,1-dimethoxynon-2-en-4-ol
SMILESCCCCCC(O)C=CC(OC)OC
InChIInChI=1S/C11H22O3/c1-4-5-6-7-10(12)8-9-11(13-2)14-3/h8-12H,4-7H2,1-3H3
InChIKeyATGIHMSJAARJTF-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.10
Rot. Bonds8

About 1,1-dimethoxynon-2-en-4-ol

1,1-dimethoxynon-2-en-4-ol (PubChem CID 57347575) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 1,1-dimethoxynon-2-en-4-ol.

Molecular Properties

Compound Name1,1-dimethoxynon-2-en-4-ol
PubChem CID57347575
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name1,1-dimethoxynon-2-en-4-ol
SMILESCCCCCC(O)C=CC(OC)OC
InChIInChI=1S/C11H22O3/c1-4-5-6-7-10(12)8-9-11(13-2)14-3/h8-12H,4-7H2,1-3H3
InChIKeyATGIHMSJAARJTF-UHFFFAOYSA-N
XLogP2.10
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxynon-2-en-4-ol?
The IUPAC name of 1,1-dimethoxynon-2-en-4-ol (CID 57347575) is 1,1-dimethoxynon-2-en-4-ol.
What is the SMILES notation for 1,1-dimethoxynon-2-en-4-ol?
The canonical SMILES for 1,1-dimethoxynon-2-en-4-ol is CCCCCC(O)C=CC(OC)OC.
What is the InChIKey of 1,1-dimethoxynon-2-en-4-ol?
The InChIKey is ATGIHMSJAARJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-4-5-6-7-10(12)8-9-11(13-2)14-3/h8-12H,4-7H2,1-3H3.
What are the key properties of 1,1-dimethoxynon-2-en-4-ol?
1,1-dimethoxynon-2-en-4-ol has a molecular weight of 202.29 g/mol, XLogP of 2.10, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxynon-2-en-4-ol is sourced from PubChem (CID 57347575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).