4-(methoxymethylidene)-2-[(E)-prop-1-enyl]-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyran

C13H18O2 — CID 135037135

IUPAC4-(methoxymethylidene)-2-[(E)-prop-1-enyl]-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyran
SMILESC/C=C/C1CC(=COC)C2=C(CCC2)O1
InChIInChI=1S/C13H18O2/c1-3-5-11-8-10(9-14-2)12-6-4-7-13(12)15-11/h3,5,9,11H,4,6-8H2,1-2H3/b5-3+,10-9?
InChIKeyCUDLYLJVRWFNML-IDPNHFQFSA-N
MW206.29 g/mol
LogP3.32
Rot. Bonds2

About 4-(methoxymethylidene)-2-[(E)-prop-1-enyl]-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyran

4-(methoxymethylidene)-2-[(E)-prop-1-enyl]-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyran (PubChem CID 135037135) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-(methoxymethylidene)-2-[(E)-prop-1-enyl]-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyran.

Molecular Properties

Compound Name4-(methoxymethylidene)-2-[(E)-prop-1-enyl]-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyran
PubChem CID135037135
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name4-(methoxymethylidene)-2-[(E)-prop-1-enyl]-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyran
SMILESC/C=C/C1CC(=COC)C2=C(CCC2)O1
InChIInChI=1S/C13H18O2/c1-3-5-11-8-10(9-14-2)12-6-4-7-13(12)15-11/h3,5,9,11H,4,6-8H2,1-2H3/b5-3+,10-9?
InChIKeyCUDLYLJVRWFNML-IDPNHFQFSA-N
XLogP3.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(1E)-1-ethoxybuta-1,3-dienyl]cyclohexene
CID 11229119
3-butyl-4-[(3E)-3-ethylidenehept-1-en-2-yl]-2-methyl-2,5-dihydrofuran
CID 11832235
7-Tetrahydrobenzofuran
CID 17799099
2-heptyl-3,4-dimethyl-2H-pyran
CID 67283434
3-methyl-2-octyl-2H-pyran
CID 85787136
Demethylheptylpyran
CID 129719097
4-(2-methylcyclopenten-1-yl)-5-methylidene-2H-pyran
CID 15710159
2-(Cyclohexen-1-yl)-2,3-dihydrofuran
CID 71346206
5-methylidene-2-pentyl-2H-pyran
CID 101746192
(2R,4R)-2-[(E)-prop-1-enyl]-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran-4-ol
CID 102385262
13-Decahydrocyclododeca[b]furan
CID 129664862
2-[(E)-prop-1-enyl]-2,3,4,5,6,7-hexahydrocyclopenta[b]pyran
CID 134866027

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethylidene)-2-[(E)-prop-1-enyl]-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyran?
The IUPAC name of 4-(methoxymethylidene)-2-[(E)-prop-1-enyl]-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyran (CID 135037135) is 4-(methoxymethylidene)-2-[(E)-prop-1-enyl]-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyran.
What is the SMILES notation for 4-(methoxymethylidene)-2-[(E)-prop-1-enyl]-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyran?
The canonical SMILES for 4-(methoxymethylidene)-2-[(E)-prop-1-enyl]-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyran is C/C=C/C1CC(=COC)C2=C(CCC2)O1.
What is the InChIKey of 4-(methoxymethylidene)-2-[(E)-prop-1-enyl]-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyran?
The InChIKey is CUDLYLJVRWFNML-IDPNHFQFSA-N. The full InChI is InChI=1S/C13H18O2/c1-3-5-11-8-10(9-14-2)12-6-4-7-13(12)15-11/h3,5,9,11H,4,6-8H2,1-2H3/b5-3+,10-9?.
What are the key properties of 4-(methoxymethylidene)-2-[(E)-prop-1-enyl]-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyran?
4-(methoxymethylidene)-2-[(E)-prop-1-enyl]-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyran has a molecular weight of 206.29 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethylidene)-2-[(E)-prop-1-enyl]-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyran is sourced from PubChem (CID 135037135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).