methyl (Z)-6-(oxan-2-yloxy)hex-4-enoate

C12H20O4 — CID 11310730

IUPACmethyl (Z)-6-(oxan-2-yloxy)hex-4-enoate
SMILESCOC(=O)CC/C=C\COC1CCCCO1
InChIInChI=1S/C12H20O4/c1-14-11(13)7-3-2-5-9-15-12-8-4-6-10-16-12/h2,5,12H,3-4,6-10H2,1H3/b5-2-
InChIKeyAPQCMXCNIKXTER-DJWKRKHSSA-N
MW228.29 g/mol
LogP2.04
Rot. Bonds6

About methyl (Z)-6-(oxan-2-yloxy)hex-4-enoate

methyl (Z)-6-(oxan-2-yloxy)hex-4-enoate (PubChem CID 11310730) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is methyl (Z)-6-(oxan-2-yloxy)hex-4-enoate.

Molecular Properties

Compound Namemethyl (Z)-6-(oxan-2-yloxy)hex-4-enoate
PubChem CID11310730
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Namemethyl (Z)-6-(oxan-2-yloxy)hex-4-enoate
SMILESCOC(=O)CC/C=C\COC1CCCCO1
InChIInChI=1S/C12H20O4/c1-14-11(13)7-3-2-5-9-15-12-8-4-6-10-16-12/h2,5,12H,3-4,6-10H2,1H3/b5-2-
InChIKeyAPQCMXCNIKXTER-DJWKRKHSSA-N
XLogP2.04
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.04
H-Bond Donors ≤ 50
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)-6-(oxan-2-yloxy)hex-4-enoate?
The IUPAC name of methyl (Z)-6-(oxan-2-yloxy)hex-4-enoate (CID 11310730) is methyl (Z)-6-(oxan-2-yloxy)hex-4-enoate.
What is the SMILES notation for methyl (Z)-6-(oxan-2-yloxy)hex-4-enoate?
The canonical SMILES for methyl (Z)-6-(oxan-2-yloxy)hex-4-enoate is COC(=O)CC/C=C\COC1CCCCO1.
What is the InChIKey of methyl (Z)-6-(oxan-2-yloxy)hex-4-enoate?
The InChIKey is APQCMXCNIKXTER-DJWKRKHSSA-N. The full InChI is InChI=1S/C12H20O4/c1-14-11(13)7-3-2-5-9-15-12-8-4-6-10-16-12/h2,5,12H,3-4,6-10H2,1H3/b5-2-.
What are the key properties of methyl (Z)-6-(oxan-2-yloxy)hex-4-enoate?
methyl (Z)-6-(oxan-2-yloxy)hex-4-enoate has a molecular weight of 228.29 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-6-(oxan-2-yloxy)hex-4-enoate is sourced from PubChem (CID 11310730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).