methyl 4-methyl-3-[2-(oxan-2-yloxy)ethyl]pent-2-enoate

C14H24O4 — CID 86690515

IUPACmethyl 4-methyl-3-[2-(oxan-2-yloxy)ethyl]pent-2-enoate
SMILESCOC(=O)C=C(CCOC1CCCCO1)C(C)C
InChIInChI=1S/C14H24O4/c1-11(2)12(10-13(15)16-3)7-9-18-14-6-4-5-8-17-14/h10-11,14H,4-9H2,1-3H3
InChIKeyMLLYBARZSAZTST-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.68
Rot. Bonds6

About methyl 4-methyl-3-[2-(oxan-2-yloxy)ethyl]pent-2-enoate

methyl 4-methyl-3-[2-(oxan-2-yloxy)ethyl]pent-2-enoate (PubChem CID 86690515) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is methyl 4-methyl-3-[2-(oxan-2-yloxy)ethyl]pent-2-enoate.

Molecular Properties

Compound Namemethyl 4-methyl-3-[2-(oxan-2-yloxy)ethyl]pent-2-enoate
PubChem CID86690515
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Namemethyl 4-methyl-3-[2-(oxan-2-yloxy)ethyl]pent-2-enoate
SMILESCOC(=O)C=C(CCOC1CCCCO1)C(C)C
InChIInChI=1S/C14H24O4/c1-11(2)12(10-13(15)16-3)7-9-18-14-6-4-5-8-17-14/h10-11,14H,4-9H2,1-3H3
InChIKeyMLLYBARZSAZTST-UHFFFAOYSA-N
XLogP2.68
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3-[2-(oxan-2-yloxy)ethyl]pent-2-enoate?
The IUPAC name of methyl 4-methyl-3-[2-(oxan-2-yloxy)ethyl]pent-2-enoate (CID 86690515) is methyl 4-methyl-3-[2-(oxan-2-yloxy)ethyl]pent-2-enoate.
What is the SMILES notation for methyl 4-methyl-3-[2-(oxan-2-yloxy)ethyl]pent-2-enoate?
The canonical SMILES for methyl 4-methyl-3-[2-(oxan-2-yloxy)ethyl]pent-2-enoate is COC(=O)C=C(CCOC1CCCCO1)C(C)C.
What is the InChIKey of methyl 4-methyl-3-[2-(oxan-2-yloxy)ethyl]pent-2-enoate?
The InChIKey is MLLYBARZSAZTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c1-11(2)12(10-13(15)16-3)7-9-18-14-6-4-5-8-17-14/h10-11,14H,4-9H2,1-3H3.
What are the key properties of methyl 4-methyl-3-[2-(oxan-2-yloxy)ethyl]pent-2-enoate?
methyl 4-methyl-3-[2-(oxan-2-yloxy)ethyl]pent-2-enoate has a molecular weight of 256.34 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-3-[2-(oxan-2-yloxy)ethyl]pent-2-enoate is sourced from PubChem (CID 86690515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).