oxan-2-yl 4-methylpent-4-enoate

C11H18O3 — CID 11008908

IUPACoxan-2-yl 4-methylpent-4-enoate
SMILESC=C(C)CCC(=O)OC1CCCCO1
InChIInChI=1S/C11H18O3/c1-9(2)6-7-10(12)14-11-5-3-4-8-13-11/h11H,1,3-8H2,2H3
InChIKeyTYZMXVASVQWVPJ-UHFFFAOYSA-N
MW198.26 g/mol
LogP2.41
Rot. Bonds4

About oxan-2-yl 4-methylpent-4-enoate

oxan-2-yl 4-methylpent-4-enoate (PubChem CID 11008908) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is oxan-2-yl 4-methylpent-4-enoate.

Molecular Properties

Compound Nameoxan-2-yl 4-methylpent-4-enoate
PubChem CID11008908
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Nameoxan-2-yl 4-methylpent-4-enoate
SMILESC=C(C)CCC(=O)OC1CCCCO1
InChIInChI=1S/C11H18O3/c1-9(2)6-7-10(12)14-11-5-3-4-8-13-11/h11H,1,3-8H2,2H3
InChIKeyTYZMXVASVQWVPJ-UHFFFAOYSA-N
XLogP2.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

oxan-2-yl butanoate
CID 14932559
oxan-2-yl octanoate
CID 23405562
oxan-2-yl 3-phenylpropanoate
CID 10609743
oxan-2-yl 2-methylbut-2-enoate
CID 68809756
5-methyl-1-(oxan-2-yl)hex-5-en-2-one
CID 114473726
oxan-2-yl 2,2-dimethylpropanoate
CID 10679121
2-methyl-4-(oxan-2-yloxycarbonyl)penta-2,4-dienoic acid
CID 131986537
oxan-2-yl 5-hydroxy-6-(2-methylprop-2-enoyloxy)bicyclo[2.2.1]heptane-2-carboxylate
CID 18724147
oxan-2-yl 2-bromo-2-methylpropanoate
CID 12570457
13-[(2S)-oxan-2-yl]oxytridecan-2-one
CID 129363277
[6-[(E)-3-(oxan-2-yloxy)-3-oxoprop-1-enyl]oxan-2-yl] 2-methylprop-2-enoate
CID 146262842
tris(oxan-2-yl) benzene-1,3,5-tricarboxylate
CID 139603181

Frequently Asked Questions

What is the IUPAC name of oxan-2-yl 4-methylpent-4-enoate?
The IUPAC name of oxan-2-yl 4-methylpent-4-enoate (CID 11008908) is oxan-2-yl 4-methylpent-4-enoate.
What is the SMILES notation for oxan-2-yl 4-methylpent-4-enoate?
The canonical SMILES for oxan-2-yl 4-methylpent-4-enoate is C=C(C)CCC(=O)OC1CCCCO1.
What is the InChIKey of oxan-2-yl 4-methylpent-4-enoate?
The InChIKey is TYZMXVASVQWVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-9(2)6-7-10(12)14-11-5-3-4-8-13-11/h11H,1,3-8H2,2H3.
What are the key properties of oxan-2-yl 4-methylpent-4-enoate?
oxan-2-yl 4-methylpent-4-enoate has a molecular weight of 198.26 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-2-yl 4-methylpent-4-enoate is sourced from PubChem (CID 11008908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).