methyl (Z,8R)-8-methyl-9-(oxan-2-yloxy)non-2-enoate

C16H28O4 — CID 10731795

IUPACmethyl (Z,8R)-8-methyl-9-(oxan-2-yloxy)non-2-enoate
SMILESCOC(=O)/C=C\CCCC[C@@H](C)COC1CCCCO1
InChIInChI=1S/C16H28O4/c1-14(13-20-16-11-7-8-12-19-16)9-5-3-4-6-10-15(17)18-2/h6,10,14,16H,3-5,7-9,11-13H2,1-2H3/b10-6-/t14-,16?/m1/s1
InChIKeyXFGRJDYYBKSWMG-LPBZSEGESA-N
MW284.40 g/mol
LogP3.46
Rot. Bonds9

About methyl (Z,8R)-8-methyl-9-(oxan-2-yloxy)non-2-enoate

methyl (Z,8R)-8-methyl-9-(oxan-2-yloxy)non-2-enoate (PubChem CID 10731795) has the molecular formula C16H28O4 and a molecular weight of 284.40 g/mol. Its IUPAC name is methyl (Z,8R)-8-methyl-9-(oxan-2-yloxy)non-2-enoate.

Molecular Properties

Compound Namemethyl (Z,8R)-8-methyl-9-(oxan-2-yloxy)non-2-enoate
PubChem CID10731795
Molecular FormulaC16H28O4
Molecular Weight284.40 g/mol
Exact Mass284.20
IUPAC Namemethyl (Z,8R)-8-methyl-9-(oxan-2-yloxy)non-2-enoate
SMILESCOC(=O)/C=C\CCCC[C@@H](C)COC1CCCCO1
InChIInChI=1S/C16H28O4/c1-14(13-20-16-11-7-8-12-19-16)9-5-3-4-6-10-15(17)18-2/h6,10,14,16H,3-5,7-9,11-13H2,1-2H3/b10-6-/t14-,16?/m1/s1
InChIKeyXFGRJDYYBKSWMG-LPBZSEGESA-N
XLogP3.46
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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ethyl (Z,4R)-4-cyclohexyl-4-(oxan-2-yloxy)but-2-enoate
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methyl (E)-4-(oxan-2-yloxy)non-2-enoate
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Fumaric acid, cyclohex-3-enylmethyl heptyl ester
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ethyl (E)-10-(oxan-2-yloxy)dec-2-enoate
CID 13264570
[2-Methylprop-2-enoyloxy-(4-prop-1-en-2-ylcyclohexen-1-yl)methyl] 2-methylprop-2-enoate
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[Prop-2-enoyloxy-(4-prop-1-en-2-ylcyclohexen-1-yl)methyl] prop-2-enoate
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Frequently Asked Questions

What is the IUPAC name of methyl (Z,8R)-8-methyl-9-(oxan-2-yloxy)non-2-enoate?
The IUPAC name of methyl (Z,8R)-8-methyl-9-(oxan-2-yloxy)non-2-enoate (CID 10731795) is methyl (Z,8R)-8-methyl-9-(oxan-2-yloxy)non-2-enoate.
What is the SMILES notation for methyl (Z,8R)-8-methyl-9-(oxan-2-yloxy)non-2-enoate?
The canonical SMILES for methyl (Z,8R)-8-methyl-9-(oxan-2-yloxy)non-2-enoate is COC(=O)/C=C\CCCC[C@@H](C)COC1CCCCO1.
What is the InChIKey of methyl (Z,8R)-8-methyl-9-(oxan-2-yloxy)non-2-enoate?
The InChIKey is XFGRJDYYBKSWMG-LPBZSEGESA-N. The full InChI is InChI=1S/C16H28O4/c1-14(13-20-16-11-7-8-12-19-16)9-5-3-4-6-10-15(17)18-2/h6,10,14,16H,3-5,7-9,11-13H2,1-2H3/b10-6-/t14-,16?/m1/s1.
What are the key properties of methyl (Z,8R)-8-methyl-9-(oxan-2-yloxy)non-2-enoate?
methyl (Z,8R)-8-methyl-9-(oxan-2-yloxy)non-2-enoate has a molecular weight of 284.40 g/mol, XLogP of 3.46, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z,8R)-8-methyl-9-(oxan-2-yloxy)non-2-enoate is sourced from PubChem (CID 10731795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).