methyl 4-prop-2-enyloxane-4-carboxylate

C10H16O3 — CID 58928641

IUPACmethyl 4-prop-2-enyloxane-4-carboxylate
SMILESC=CCC1(C(=O)OC)CCOCC1
InChIInChI=1S/C10H16O3/c1-3-4-10(9(11)12-2)5-7-13-8-6-10/h3H,1,4-8H2,2H3
InChIKeyPLNSWNIBRJSHSM-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.53
Rot. Bonds3

About methyl 4-prop-2-enyloxane-4-carboxylate

methyl 4-prop-2-enyloxane-4-carboxylate (PubChem CID 58928641) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is methyl 4-prop-2-enyloxane-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-prop-2-enyloxane-4-carboxylate
PubChem CID58928641
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Namemethyl 4-prop-2-enyloxane-4-carboxylate
SMILESC=CCC1(C(=O)OC)CCOCC1
InChIInChI=1S/C10H16O3/c1-3-4-10(9(11)12-2)5-7-13-8-6-10/h3H,1,4-8H2,2H3
InChIKeyPLNSWNIBRJSHSM-UHFFFAOYSA-N
XLogP1.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 4-prop-2-enyloxane-4-carboxylate?
The IUPAC name of methyl 4-prop-2-enyloxane-4-carboxylate (CID 58928641) is methyl 4-prop-2-enyloxane-4-carboxylate.
What is the SMILES notation for methyl 4-prop-2-enyloxane-4-carboxylate?
The canonical SMILES for methyl 4-prop-2-enyloxane-4-carboxylate is C=CCC1(C(=O)OC)CCOCC1.
What is the InChIKey of methyl 4-prop-2-enyloxane-4-carboxylate?
The InChIKey is PLNSWNIBRJSHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-3-4-10(9(11)12-2)5-7-13-8-6-10/h3H,1,4-8H2,2H3.
What are the key properties of methyl 4-prop-2-enyloxane-4-carboxylate?
methyl 4-prop-2-enyloxane-4-carboxylate has a molecular weight of 184.23 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-prop-2-enyloxane-4-carboxylate is sourced from PubChem (CID 58928641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).