methyl 2-(5-methylideneoxan-2-yl)acetate

C9H14O3 — CID 10397213

IUPACmethyl 2-(5-methylideneoxan-2-yl)acetate
SMILESC=C1CCC(CC(=O)OC)OC1
InChIInChI=1S/C9H14O3/c1-7-3-4-8(12-6-7)5-9(10)11-2/h8H,1,3-6H2,2H3
InChIKeyXGBRYZMAYGZXGQ-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.28
Rot. Bonds2

About methyl 2-(5-methylideneoxan-2-yl)acetate

methyl 2-(5-methylideneoxan-2-yl)acetate (PubChem CID 10397213) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is methyl 2-(5-methylideneoxan-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-methylideneoxan-2-yl)acetate
PubChem CID10397213
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Namemethyl 2-(5-methylideneoxan-2-yl)acetate
SMILESC=C1CCC(CC(=O)OC)OC1
InChIInChI=1S/C9H14O3/c1-7-3-4-8(12-6-7)5-9(10)11-2/h8H,1,3-6H2,2H3
InChIKeyXGBRYZMAYGZXGQ-UHFFFAOYSA-N
XLogP1.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.28
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

Octanoic acid, 3-(acetyloxy)-2-methylene-, methyl ester
CID 11458828
Undecanoic acid, 3-(acetyloxy)-2-methylene-, methyl ester
CID 11737315
Methyl 3-acetyloxy-2-methylideneheptanoate
CID 15683410
ethyl 2-[(2S,6R)-6-ethenyloxan-2-yl]acetate
CID 24795951
Methyl methoxy methylenestearate
CID 129728387
2-(3-Methylideneoxan-2-yl)acetaldehyde
CID 130026303
ethyl 2-[(2R,6S)-6-ethenyloxan-2-yl]acetate
CID 134856066
methyl 2-[(2S,5S)-5-methyloxolan-2-yl]prop-2-enoate
CID 134902021
methyl 2-[(2S,5R)-5-methyloxolan-2-yl]prop-2-enoate
CID 134981570
methyl (3R)-6,8-dimethyl-3-propan-2-yloxynona-6,7-dienoate
CID 134981784
3-Methylidene-4-pentyloxetan-2-one
CID 176423916
2H-Furo(3,2-b)pyran-2-one, hexahydro-7a-methyl-5-(1-methylethenyl)-, (3aR,5R,7aR)-
CID 91827079

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-methylideneoxan-2-yl)acetate?
The IUPAC name of methyl 2-(5-methylideneoxan-2-yl)acetate (CID 10397213) is methyl 2-(5-methylideneoxan-2-yl)acetate.
What is the SMILES notation for methyl 2-(5-methylideneoxan-2-yl)acetate?
The canonical SMILES for methyl 2-(5-methylideneoxan-2-yl)acetate is C=C1CCC(CC(=O)OC)OC1.
What is the InChIKey of methyl 2-(5-methylideneoxan-2-yl)acetate?
The InChIKey is XGBRYZMAYGZXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-7-3-4-8(12-6-7)5-9(10)11-2/h8H,1,3-6H2,2H3.
What are the key properties of methyl 2-(5-methylideneoxan-2-yl)acetate?
methyl 2-(5-methylideneoxan-2-yl)acetate has a molecular weight of 170.21 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-methylideneoxan-2-yl)acetate is sourced from PubChem (CID 10397213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).