7a-methyl-5-prop-1-en-2-yl-3a,5,6,7-tetrahydro-3H-furo[3,2-b]pyran-2-one

C11H16O3 — CID 135043182

IUPAC7a-methyl-5-prop-1-en-2-yl-3a,5,6,7-tetrahydro-3H-furo[3,2-b]pyran-2-one
SMILESC=C(C)C1CCC2(C)OC(=O)CC2O1
InChIInChI=1S/C11H16O3/c1-7(2)8-4-5-11(3)9(13-8)6-10(12)14-11/h8-9H,1,4-6H2,2-3H3
InChIKeyAULQLQUPDNVFNJ-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.82
Rot. Bonds1

About 7a-methyl-5-prop-1-en-2-yl-3a,5,6,7-tetrahydro-3H-furo[3,2-b]pyran-2-one

7a-methyl-5-prop-1-en-2-yl-3a,5,6,7-tetrahydro-3H-furo[3,2-b]pyran-2-one (PubChem CID 135043182) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 7a-methyl-5-prop-1-en-2-yl-3a,5,6,7-tetrahydro-3H-furo[3,2-b]pyran-2-one.

Molecular Properties

Compound Name7a-methyl-5-prop-1-en-2-yl-3a,5,6,7-tetrahydro-3H-furo[3,2-b]pyran-2-one
PubChem CID135043182
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name7a-methyl-5-prop-1-en-2-yl-3a,5,6,7-tetrahydro-3H-furo[3,2-b]pyran-2-one
SMILESC=C(C)C1CCC2(C)OC(=O)CC2O1
InChIInChI=1S/C11H16O3/c1-7(2)8-4-5-11(3)9(13-8)6-10(12)14-11/h8-9H,1,4-6H2,2-3H3
InChIKeyAULQLQUPDNVFNJ-UHFFFAOYSA-N
XLogP1.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7a-methyl-5-prop-1-en-2-yl-3a,5,6,7-tetrahydro-3H-furo[3,2-b]pyran-2-one with MolForge

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Related Compounds

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(1S,3R,6S)-6-methyl-3-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-2-one
CID 130765296
(5R)-5-prop-1-en-2-yloxolan-2-one
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(3aR,9aS,9bR)-3a,9a-dimethyl-4,5,5a,6,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran-2-one
CID 143398960
(1R,4S,7S,8R,12S)-12-hydroxy-4-methyl-7-prop-1-en-2-yl-3,14-dioxatetracyclo[10.2.1.02,10.04,8]pentadec-2(10)-en-11-one
CID 102054597
5-[5-(bromomethyl)-5-hydroxyoxolan-2-yl]-5-methyloxolan-2-one
CID 12944769
3-methylidene-5-prop-1-en-2-yloxolan-2-one
CID 14714230
[(3aR,7aR)-4,4,7a-trimethyl-2-oxo-3a,5,6,7-tetrahydro-3H-1-benzofuran-5-yl]-bromomercury
CID 11059594
(1S,4S,6R)-1-methyl-4-prop-1-en-2-ylbicyclo[4.1.0]heptan-2-one
CID 102385862
3a,6,6,9,9a-pentamethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-2-one
CID 123771473
2-(1-hydroxyethenyl)-2-methyl-1,3-dioxepane-4,7-dione
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Frequently Asked Questions

What is the IUPAC name of 7a-methyl-5-prop-1-en-2-yl-3a,5,6,7-tetrahydro-3H-furo[3,2-b]pyran-2-one?
The IUPAC name of 7a-methyl-5-prop-1-en-2-yl-3a,5,6,7-tetrahydro-3H-furo[3,2-b]pyran-2-one (CID 135043182) is 7a-methyl-5-prop-1-en-2-yl-3a,5,6,7-tetrahydro-3H-furo[3,2-b]pyran-2-one.
What is the SMILES notation for 7a-methyl-5-prop-1-en-2-yl-3a,5,6,7-tetrahydro-3H-furo[3,2-b]pyran-2-one?
The canonical SMILES for 7a-methyl-5-prop-1-en-2-yl-3a,5,6,7-tetrahydro-3H-furo[3,2-b]pyran-2-one is C=C(C)C1CCC2(C)OC(=O)CC2O1.
What is the InChIKey of 7a-methyl-5-prop-1-en-2-yl-3a,5,6,7-tetrahydro-3H-furo[3,2-b]pyran-2-one?
The InChIKey is AULQLQUPDNVFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-7(2)8-4-5-11(3)9(13-8)6-10(12)14-11/h8-9H,1,4-6H2,2-3H3.
What are the key properties of 7a-methyl-5-prop-1-en-2-yl-3a,5,6,7-tetrahydro-3H-furo[3,2-b]pyran-2-one?
7a-methyl-5-prop-1-en-2-yl-3a,5,6,7-tetrahydro-3H-furo[3,2-b]pyran-2-one has a molecular weight of 196.25 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7a-methyl-5-prop-1-en-2-yl-3a,5,6,7-tetrahydro-3H-furo[3,2-b]pyran-2-one is sourced from PubChem (CID 135043182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).