(6E)-6-ethylidene-4-propan-2-ylidene-1,3,3a,6a-tetrahydrocyclopenta[c]furan-5-one

C12H16O2 — CID 102186051

IUPAC(6E)-6-ethylidene-4-propan-2-ylidene-1,3,3a,6a-tetrahydrocyclopenta[c]furan-5-one
SMILESC/C=C1/C(=O)C(=C(C)C)C2COCC12
InChIInChI=1S/C12H16O2/c1-4-8-9-5-14-6-10(9)11(7(2)3)12(8)13/h4,9-10H,5-6H2,1-3H3/b8-4+
InChIKeyYMKXEXWZOUBUKE-XBXARRHUSA-N
MW192.26 g/mol
LogP2.11
Rot. Bonds

About (6E)-6-ethylidene-4-propan-2-ylidene-1,3,3a,6a-tetrahydrocyclopenta[c]furan-5-one

(6E)-6-ethylidene-4-propan-2-ylidene-1,3,3a,6a-tetrahydrocyclopenta[c]furan-5-one (PubChem CID 102186051) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (6E)-6-ethylidene-4-propan-2-ylidene-1,3,3a,6a-tetrahydrocyclopenta[c]furan-5-one.

Molecular Properties

Compound Name(6E)-6-ethylidene-4-propan-2-ylidene-1,3,3a,6a-tetrahydrocyclopenta[c]furan-5-one
PubChem CID102186051
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(6E)-6-ethylidene-4-propan-2-ylidene-1,3,3a,6a-tetrahydrocyclopenta[c]furan-5-one
SMILESC/C=C1/C(=O)C(=C(C)C)C2COCC12
InChIInChI=1S/C12H16O2/c1-4-8-9-5-14-6-10(9)11(7(2)3)12(8)13/h4,9-10H,5-6H2,1-3H3/b8-4+
InChIKeyYMKXEXWZOUBUKE-XBXARRHUSA-N
XLogP2.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_ene_A(57)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (6E)-6-ethylidene-4-propan-2-ylidene-1,3,3a,6a-tetrahydrocyclopenta[c]furan-5-one with MolForge

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Related Compounds

4-Oxatricyclo[5.2.1.02,6]dec-1(9)-en-10-one
CID 91084393
(1Z,3S,11S)-5-oxatricyclo[9.3.0.03,7]tetradec-1-en-9-one
CID 139250217
5-pentyl-1,3,3a,6a-tetrahydro-4H-cyclopenta[c]furan-4-one
CID 13540146
7-(Methoxymethyl)bicyclo[2.2.1]hept-1(6)-en-2-one
CID 54161074
(3aS,4E,6aS)-4-(methoxymethylidene)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-one
CID 10702249
(4Z)-4-ethylidene-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-5-one
CID 45082990
4-ethylidene-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-5-one
CID 71439427
(3aS,4Z,6aR)-4-ethylidene-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-5-one
CID 93495746
(3aR,4Z,6aR)-4-ethylidene-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-5-one
CID 93495747
(3aS,4Z,6aS)-4-ethylidene-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-5-one
CID 93495748
(3aR,4Z,6aS)-4-ethylidene-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-5-one
CID 93495749
(4E)-4-(methoxymethylidene)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-one
CID 101111051

Frequently Asked Questions

What is the IUPAC name of (6E)-6-ethylidene-4-propan-2-ylidene-1,3,3a,6a-tetrahydrocyclopenta[c]furan-5-one?
The IUPAC name of (6E)-6-ethylidene-4-propan-2-ylidene-1,3,3a,6a-tetrahydrocyclopenta[c]furan-5-one (CID 102186051) is (6E)-6-ethylidene-4-propan-2-ylidene-1,3,3a,6a-tetrahydrocyclopenta[c]furan-5-one.
What is the SMILES notation for (6E)-6-ethylidene-4-propan-2-ylidene-1,3,3a,6a-tetrahydrocyclopenta[c]furan-5-one?
The canonical SMILES for (6E)-6-ethylidene-4-propan-2-ylidene-1,3,3a,6a-tetrahydrocyclopenta[c]furan-5-one is C/C=C1/C(=O)C(=C(C)C)C2COCC12.
What is the InChIKey of (6E)-6-ethylidene-4-propan-2-ylidene-1,3,3a,6a-tetrahydrocyclopenta[c]furan-5-one?
The InChIKey is YMKXEXWZOUBUKE-XBXARRHUSA-N. The full InChI is InChI=1S/C12H16O2/c1-4-8-9-5-14-6-10(9)11(7(2)3)12(8)13/h4,9-10H,5-6H2,1-3H3/b8-4+.
What are the key properties of (6E)-6-ethylidene-4-propan-2-ylidene-1,3,3a,6a-tetrahydrocyclopenta[c]furan-5-one?
(6E)-6-ethylidene-4-propan-2-ylidene-1,3,3a,6a-tetrahydrocyclopenta[c]furan-5-one has a molecular weight of 192.26 g/mol, XLogP of 2.11, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-ethylidene-4-propan-2-ylidene-1,3,3a,6a-tetrahydrocyclopenta[c]furan-5-one is sourced from PubChem (CID 102186051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).