(E,4R)-1,1-dimethoxynon-2-en-4-ol

C11H22O3 — CID 14159265

IUPAC(E,4R)-1,1-dimethoxynon-2-en-4-ol
SMILESCCCCC[C@@H](O)/C=C/C(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/b9-8+/t10-/m1/s1
InChIKeyATGIHMSJAARJTF-AAXQSMANSA-N
MW202.29 g/mol
LogP2.10
Rot. Bonds8

About (E,4R)-1,1-dimethoxynon-2-en-4-ol

(E,4R)-1,1-dimethoxynon-2-en-4-ol (PubChem CID 14159265) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is (E,4R)-1,1-dimethoxynon-2-en-4-ol.

Molecular Properties

Compound Name(E,4R)-1,1-dimethoxynon-2-en-4-ol
PubChem CID14159265
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name(E,4R)-1,1-dimethoxynon-2-en-4-ol
SMILESCCCCC[C@@H](O)/C=C/C(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/b9-8+/t10-/m1/s1
InChIKeyATGIHMSJAARJTF-AAXQSMANSA-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 (E,4R)-1,1-dimethoxynon-2-en-4-ol?
The IUPAC name of (E,4R)-1,1-dimethoxynon-2-en-4-ol (CID 14159265) is (E,4R)-1,1-dimethoxynon-2-en-4-ol.
What is the SMILES notation for (E,4R)-1,1-dimethoxynon-2-en-4-ol?
The canonical SMILES for (E,4R)-1,1-dimethoxynon-2-en-4-ol is CCCCC[C@@H](O)/C=C/C(OC)OC.
What is the InChIKey of (E,4R)-1,1-dimethoxynon-2-en-4-ol?
The InChIKey is ATGIHMSJAARJTF-AAXQSMANSA-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/b9-8+/t10-/m1/s1.
What are the key properties of (E,4R)-1,1-dimethoxynon-2-en-4-ol?
(E,4R)-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 (E,4R)-1,1-dimethoxynon-2-en-4-ol is sourced from PubChem (CID 14159265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).