4-(prop-2-enoxymethyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one

C11H14O3 — CID 11019727

IUPAC4-(prop-2-enoxymethyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
SMILESC=CCOCC1=C2COCC2CC1=O
InChIInChI=1S/C11H14O3/c1-2-3-13-7-10-9-6-14-5-8(9)4-11(10)12/h2,8H,1,3-7H2
InChIKeyOIDCUHIANKATKY-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.10
Rot. Bonds4

About 4-(prop-2-enoxymethyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one

4-(prop-2-enoxymethyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one (PubChem CID 11019727) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 4-(prop-2-enoxymethyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one.

Molecular Properties

Compound Name4-(prop-2-enoxymethyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
PubChem CID11019727
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name4-(prop-2-enoxymethyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
SMILESC=CCOCC1=C2COCC2CC1=O
InChIInChI=1S/C11H14O3/c1-2-3-13-7-10-9-6-14-5-8(9)4-11(10)12/h2,8H,1,3-7H2
InChIKeyOIDCUHIANKATKY-UHFFFAOYSA-N
XLogP1.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(prop-2-enoxymethyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
The IUPAC name of 4-(prop-2-enoxymethyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one (CID 11019727) is 4-(prop-2-enoxymethyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one.
What is the SMILES notation for 4-(prop-2-enoxymethyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
The canonical SMILES for 4-(prop-2-enoxymethyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one is C=CCOCC1=C2COCC2CC1=O.
What is the InChIKey of 4-(prop-2-enoxymethyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
The InChIKey is OIDCUHIANKATKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-2-3-13-7-10-9-6-14-5-8(9)4-11(10)12/h2,8H,1,3-7H2.
What are the key properties of 4-(prop-2-enoxymethyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
4-(prop-2-enoxymethyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one has a molecular weight of 194.23 g/mol, XLogP of 1.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(prop-2-enoxymethyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one is sourced from PubChem (CID 11019727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).