oxan-2-yl 2-methylbut-2-enoate

C10H16O3 — CID 68809756

IUPACoxan-2-yl 2-methylbut-2-enoate
SMILESCC=C(C)C(=O)OC1CCCCO1
InChIInChI=1S/C10H16O3/c1-3-8(2)10(11)13-9-6-4-5-7-12-9/h3,9H,4-7H2,1-2H3
InChIKeyUYNPJVAUMYNXNS-UHFFFAOYSA-N
MW184.23 g/mol
LogP2.02
Rot. Bonds2

About oxan-2-yl 2-methylbut-2-enoate

oxan-2-yl 2-methylbut-2-enoate (PubChem CID 68809756) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is oxan-2-yl 2-methylbut-2-enoate.

Molecular Properties

Compound Nameoxan-2-yl 2-methylbut-2-enoate
PubChem CID68809756
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Nameoxan-2-yl 2-methylbut-2-enoate
SMILESCC=C(C)C(=O)OC1CCCCO1
InChIInChI=1S/C10H16O3/c1-3-8(2)10(11)13-9-6-4-5-7-12-9/h3,9H,4-7H2,1-2H3
InChIKeyUYNPJVAUMYNXNS-UHFFFAOYSA-N
XLogP2.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-4-(oxan-2-yloxycarbonyl)penta-2,4-dienoic acid
CID 131986537
2,3-dichloro-4-(oxan-2-yloxy)-4-oxobut-2-enoic acid
CID 154081225
oxan-2-yl 2-bromo-2-methylpropanoate
CID 12570457
oxan-2-yl 2,2-dimethylpropanoate
CID 10679121
cyclopentyl (Z)-2-methylbut-2-enoate
CID 70402433
oxan-2-yl butanoate
CID 14932559
oxan-2-yl 4-methylpent-4-enoate
CID 11008908
bis(oxolan-2-yl) (E)-but-2-enedioate
CID 70212564
[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
1-(oxan-2-yloxy)ethylideneoxidanium
CID 162402096
(2,6-dimethylcyclohexyl) oxan-2-yl carbonate
CID 173476655

Frequently Asked Questions

What is the IUPAC name of oxan-2-yl 2-methylbut-2-enoate?
The IUPAC name of oxan-2-yl 2-methylbut-2-enoate (CID 68809756) is oxan-2-yl 2-methylbut-2-enoate.
What is the SMILES notation for oxan-2-yl 2-methylbut-2-enoate?
The canonical SMILES for oxan-2-yl 2-methylbut-2-enoate is CC=C(C)C(=O)OC1CCCCO1.
What is the InChIKey of oxan-2-yl 2-methylbut-2-enoate?
The InChIKey is UYNPJVAUMYNXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-3-8(2)10(11)13-9-6-4-5-7-12-9/h3,9H,4-7H2,1-2H3.
What are the key properties of oxan-2-yl 2-methylbut-2-enoate?
oxan-2-yl 2-methylbut-2-enoate has a molecular weight of 184.23 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-2-yl 2-methylbut-2-enoate is sourced from PubChem (CID 68809756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).