methyl 4-ethenyloxane-4-carboxylate

C9H14O3 — CID 118175810

IUPACmethyl 4-ethenyloxane-4-carboxylate
SMILESC=CC1(C(=O)OC)CCOCC1
InChIInChI=1S/C9H14O3/c1-3-9(8(10)11-2)4-6-12-7-5-9/h3H,1,4-7H2,2H3
InChIKeyHXABSVWTBDNCNY-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.14
Rot. Bonds2

About methyl 4-ethenyloxane-4-carboxylate

methyl 4-ethenyloxane-4-carboxylate (PubChem CID 118175810) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is methyl 4-ethenyloxane-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-ethenyloxane-4-carboxylate
PubChem CID118175810
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Namemethyl 4-ethenyloxane-4-carboxylate
SMILESC=CC1(C(=O)OC)CCOCC1
InChIInChI=1S/C9H14O3/c1-3-9(8(10)11-2)4-6-12-7-5-9/h3H,1,4-7H2,2H3
InChIKeyHXABSVWTBDNCNY-UHFFFAOYSA-N
XLogP1.14
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 ≤ 51.14
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

Methyl-2-allyl-butanolide
CID 10898804
Ethyl 3-ethyl-3-methylpent-4-enoate
CID 20066183
4-(Prop-2-en-1-yl)oxane-4-carboxylic acid
CID 58928610
4-Vinyl-4-hydroxypentalactone
CID 356813
Ethyl 3,3-diethylpent-4-enoate
CID 129743003
Ethyl 2,2-diethylbut-3-enoate
CID 12599456
3-Ethenyl-3-ethyloxolan-2-one
CID 22598661
Ethyl 2-(2-methoxyethyl)-2-methylpent-4-enoate
CID 58052407
4-But-3-enyl-tetrahydro-pyran-4-carboxylic acid methyl ester
CID 58468053
tetrahydro-4-(2-propen-1-yl)-2H-Pyran-4-carboxylic acid methyl ester
CID 58928641
3,3-Bis(ethenyl)oxan-2-one
CID 66866783
4-Methyl-4-prop-2-enyloxan-2-one
CID 85166659

Frequently Asked Questions

What is the IUPAC name of methyl 4-ethenyloxane-4-carboxylate?
The IUPAC name of methyl 4-ethenyloxane-4-carboxylate (CID 118175810) is methyl 4-ethenyloxane-4-carboxylate.
What is the SMILES notation for methyl 4-ethenyloxane-4-carboxylate?
The canonical SMILES for methyl 4-ethenyloxane-4-carboxylate is C=CC1(C(=O)OC)CCOCC1.
What is the InChIKey of methyl 4-ethenyloxane-4-carboxylate?
The InChIKey is HXABSVWTBDNCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-3-9(8(10)11-2)4-6-12-7-5-9/h3H,1,4-7H2,2H3.
What are the key properties of methyl 4-ethenyloxane-4-carboxylate?
methyl 4-ethenyloxane-4-carboxylate has a molecular weight of 170.21 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-ethenyloxane-4-carboxylate is sourced from PubChem (CID 118175810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).