methyl (Z)-5,8-dihydroxyoct-6-enoate

C9H16O4 — CID 11008664

IUPACmethyl (Z)-5,8-dihydroxyoct-6-enoate
SMILESCOC(=O)CCCC(O)/C=C\CO
InChIInChI=1S/C9H16O4/c1-13-9(12)6-2-4-8(11)5-3-7-10/h3,5,8,10-11H,2,4,6-7H2,1H3/b5-3-
InChIKeyUYQNHKSEORLHIJ-HYXAFXHYSA-N
MW188.22 g/mol
LogP0.24
Rot. Bonds6

About methyl (Z)-5,8-dihydroxyoct-6-enoate

methyl (Z)-5,8-dihydroxyoct-6-enoate (PubChem CID 11008664) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is methyl (Z)-5,8-dihydroxyoct-6-enoate.

Molecular Properties

Compound Namemethyl (Z)-5,8-dihydroxyoct-6-enoate
PubChem CID11008664
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Namemethyl (Z)-5,8-dihydroxyoct-6-enoate
SMILESCOC(=O)CCCC(O)/C=C\CO
InChIInChI=1S/C9H16O4/c1-13-9(12)6-2-4-8(11)5-3-7-10/h3,5,8,10-11H,2,4,6-7H2,1H3/b5-3-
InChIKeyUYQNHKSEORLHIJ-HYXAFXHYSA-N
XLogP0.24
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (Z)-5,8-dihydroxyoct-6-enoate?
The IUPAC name of methyl (Z)-5,8-dihydroxyoct-6-enoate (CID 11008664) is methyl (Z)-5,8-dihydroxyoct-6-enoate.
What is the SMILES notation for methyl (Z)-5,8-dihydroxyoct-6-enoate?
The canonical SMILES for methyl (Z)-5,8-dihydroxyoct-6-enoate is COC(=O)CCCC(O)/C=C\CO.
What is the InChIKey of methyl (Z)-5,8-dihydroxyoct-6-enoate?
The InChIKey is UYQNHKSEORLHIJ-HYXAFXHYSA-N. The full InChI is InChI=1S/C9H16O4/c1-13-9(12)6-2-4-8(11)5-3-7-10/h3,5,8,10-11H,2,4,6-7H2,1H3/b5-3-.
What are the key properties of methyl (Z)-5,8-dihydroxyoct-6-enoate?
methyl (Z)-5,8-dihydroxyoct-6-enoate has a molecular weight of 188.22 g/mol, XLogP of 0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-5,8-dihydroxyoct-6-enoate is sourced from PubChem (CID 11008664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).