methyl (Z)-9-hydroxynon-6-enoate

C10H18O3 — CID 24978253

IUPACmethyl (Z)-9-hydroxynon-6-enoate
SMILESCOC(=O)CCCC/C=C\CCO
InChIInChI=1S/C10H18O3/c1-13-10(12)8-6-4-2-3-5-7-9-11/h3,5,11H,2,4,6-9H2,1H3/b5-3-
InChIKeyKORDINPQJVXLGN-HYXAFXHYSA-N
MW186.25 g/mol
LogP1.66
Rot. Bonds7

About methyl (Z)-9-hydroxynon-6-enoate

methyl (Z)-9-hydroxynon-6-enoate (PubChem CID 24978253) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is methyl (Z)-9-hydroxynon-6-enoate.

Molecular Properties

Compound Namemethyl (Z)-9-hydroxynon-6-enoate
PubChem CID24978253
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Namemethyl (Z)-9-hydroxynon-6-enoate
SMILESCOC(=O)CCCC/C=C\CCO
InChIInChI=1S/C10H18O3/c1-13-10(12)8-6-4-2-3-5-7-9-11/h3,5,11H,2,4,6-9H2,1H3/b5-3-
InChIKeyKORDINPQJVXLGN-HYXAFXHYSA-N
XLogP1.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (Z)-9-hydroxynon-6-enoate?
The IUPAC name of methyl (Z)-9-hydroxynon-6-enoate (CID 24978253) is methyl (Z)-9-hydroxynon-6-enoate.
What is the SMILES notation for methyl (Z)-9-hydroxynon-6-enoate?
The canonical SMILES for methyl (Z)-9-hydroxynon-6-enoate is COC(=O)CCCC/C=C\CCO.
What is the InChIKey of methyl (Z)-9-hydroxynon-6-enoate?
The InChIKey is KORDINPQJVXLGN-HYXAFXHYSA-N. The full InChI is InChI=1S/C10H18O3/c1-13-10(12)8-6-4-2-3-5-7-9-11/h3,5,11H,2,4,6-9H2,1H3/b5-3-.
What are the key properties of methyl (Z)-9-hydroxynon-6-enoate?
methyl (Z)-9-hydroxynon-6-enoate has a molecular weight of 186.25 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-9-hydroxynon-6-enoate is sourced from PubChem (CID 24978253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).