(6S)-6-ethenyl-4-propan-2-ylidene-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-one

C12H16O2 — CID 102186050

IUPAC(6S)-6-ethenyl-4-propan-2-ylidene-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-one
SMILESC=C[C@@H]1C(=O)C(=C(C)C)C2COCC21
InChIInChI=1S/C12H16O2/c1-4-8-9-5-14-6-10(9)11(7(2)3)12(8)13/h4,8-10H,1,5-6H2,2-3H3/t8-,9?,10?/m0/s1
InChIKeySZOGLHDXQIIDGG-IDKOKCKLSA-N
MW192.26 g/mol
LogP1.97
Rot. Bonds1

About (6S)-6-ethenyl-4-propan-2-ylidene-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-one

(6S)-6-ethenyl-4-propan-2-ylidene-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-one (PubChem CID 102186050) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (6S)-6-ethenyl-4-propan-2-ylidene-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-one.

Molecular Properties

Compound Name(6S)-6-ethenyl-4-propan-2-ylidene-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-one
PubChem CID102186050
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(6S)-6-ethenyl-4-propan-2-ylidene-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-one
SMILESC=C[C@@H]1C(=O)C(=C(C)C)C2COCC21
InChIInChI=1S/C12H16O2/c1-4-8-9-5-14-6-10(9)11(7(2)3)12(8)13/h4,8-10H,1,5-6H2,2-3H3/t8-,9?,10?/m0/s1
InChIKeySZOGLHDXQIIDGG-IDKOKCKLSA-N
XLogP1.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (6S)-6-ethenyl-4-propan-2-ylidene-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-one with MolForge

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Related Compounds

4-Oxatricyclo[5.2.1.02,6]dec-8-en-10-one
CID 15526521
4-Oxatricyclo[5.2.1.02,6]dec-1(9)-en-10-one
CID 91084393
5-(2-Methylpropoxymethyl)bicyclo[2.2.1]hept-2-en-7-one
CID 172736415
5-(Propoxymethyl)bicyclo[2.2.1]hept-2-en-7-one
CID 172771145
5-(Ethoxymethyl)bicyclo[2.2.1]hept-2-en-7-one
CID 172771351
5-(Butoxymethyl)bicyclo[2.2.1]hept-2-en-7-one
CID 172791730
5-[(2-Methylpropan-2-yl)oxymethyl]bicyclo[2.2.1]hept-2-en-7-one
CID 172793772
5-(Propan-2-yloxymethyl)bicyclo[2.2.1]hept-2-en-7-one
CID 172827210
(3aR,4E,6R,6aS)-4-(methoxymethylidene)-6-methyl-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-one
CID 10607503
(1R,4S,5S,6R)-5,6-bis(methoxymethyl)bicyclo[2.2.1]hept-2-en-7-one
CID 10954482
(1R,2R,6S,7S)-4-oxatricyclo[5.2.1.02,6]dec-8-en-10-one
CID 10975662
(6E)-6-ethylidene-4-propan-2-ylidene-1,3,3a,6a-tetrahydrocyclopenta[c]furan-5-one
CID 102186051

Frequently Asked Questions

What is the IUPAC name of (6S)-6-ethenyl-4-propan-2-ylidene-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-one?
The IUPAC name of (6S)-6-ethenyl-4-propan-2-ylidene-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-one (CID 102186050) is (6S)-6-ethenyl-4-propan-2-ylidene-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-one.
What is the SMILES notation for (6S)-6-ethenyl-4-propan-2-ylidene-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-one?
The canonical SMILES for (6S)-6-ethenyl-4-propan-2-ylidene-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-one is C=C[C@@H]1C(=O)C(=C(C)C)C2COCC21.
What is the InChIKey of (6S)-6-ethenyl-4-propan-2-ylidene-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-one?
The InChIKey is SZOGLHDXQIIDGG-IDKOKCKLSA-N. The full InChI is InChI=1S/C12H16O2/c1-4-8-9-5-14-6-10(9)11(7(2)3)12(8)13/h4,8-10H,1,5-6H2,2-3H3/t8-,9?,10?/m0/s1.
What are the key properties of (6S)-6-ethenyl-4-propan-2-ylidene-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-one?
(6S)-6-ethenyl-4-propan-2-ylidene-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-one has a molecular weight of 192.26 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-ethenyl-4-propan-2-ylidene-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]furan-5-one is sourced from PubChem (CID 102186050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).