(3R)-3-methyl-3-(4-methylpent-3-enyl)-3a,4-dihydro-1H-cyclopenta[c]furan-5-one

C14H20O2 — CID 24779709

IUPAC(3R)-3-methyl-3-(4-methylpent-3-enyl)-3a,4-dihydro-1H-cyclopenta[c]furan-5-one
SMILESCC(C)=CCC[C@@]1(C)OCC2=CC(=O)CC21
InChIInChI=1S/C14H20O2/c1-10(2)5-4-6-14(3)13-8-12(15)7-11(13)9-16-14/h5,7,13H,4,6,8-9H2,1-3H3/t13?,14-/m1/s1
InChIKeyHZAPFZZROKLYFD-ARLHGKGLSA-N
MW220.31 g/mol
LogP3.04
Rot. Bonds3

About (3R)-3-methyl-3-(4-methylpent-3-enyl)-3a,4-dihydro-1H-cyclopenta[c]furan-5-one

(3R)-3-methyl-3-(4-methylpent-3-enyl)-3a,4-dihydro-1H-cyclopenta[c]furan-5-one (PubChem CID 24779709) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is (3R)-3-methyl-3-(4-methylpent-3-enyl)-3a,4-dihydro-1H-cyclopenta[c]furan-5-one.

Molecular Properties

Compound Name(3R)-3-methyl-3-(4-methylpent-3-enyl)-3a,4-dihydro-1H-cyclopenta[c]furan-5-one
PubChem CID24779709
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name(3R)-3-methyl-3-(4-methylpent-3-enyl)-3a,4-dihydro-1H-cyclopenta[c]furan-5-one
SMILESCC(C)=CCC[C@@]1(C)OCC2=CC(=O)CC21
InChIInChI=1S/C14H20O2/c1-10(2)5-4-6-14(3)13-8-12(15)7-11(13)9-16-14/h5,7,13H,4,6,8-9H2,1-3H3/t13?,14-/m1/s1
InChIKeyHZAPFZZROKLYFD-ARLHGKGLSA-N
XLogP3.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3R)-3-methyl-3-(4-methylpent-3-enyl)-3a,4-dihydro-1H-cyclopenta[c]furan-5-one with MolForge

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Related Compounds

Theaspirone A
CID 5321925
4-(2,2,6-Trimethyl-1-oxaspiro[4.4]non-6-en-3-yl)-butan-2-one
CID 21579284
6-Methyl-1,3,3a,4-tetrahydro-cyclopenta[c]furan-5-one
CID 10329360
(-)-Theaspirone
CID 12443396
1,3,3a,4-Tetrahydro-cyclopenta[c]furan-5-one
CID 10887896
1,1-dimethyl-3a,4-dihydro-1H-cyclopenta[c]furan-5(3H)-one
CID 13332066
(3S,4R,7R,10S,13S)-4,12,12-trimethyl-8-methylidene-11-oxatetracyclo[8.5.1.03,7.013,16]hexadec-1(16)-en-15-one
CID 11022499
(2R,5R)-2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-en-8-one
CID 11041979
(6aS)-4-methyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
CID 11205784
1-Methyl-3a,4-dihydro-1H-cyclopenta[c]furan-5(3H)-one
CID 13332065
(3R,3aS,6S,6aR,9bS)-3,6,9-trimethyl-3,3a,6,6a,7,9b-hexahydroazuleno[4,5-b]furan-2,8-dione
CID 23635550
(3S,6aS)-3-cyclohexyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
CID 49817426

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-3-(4-methylpent-3-enyl)-3a,4-dihydro-1H-cyclopenta[c]furan-5-one?
The IUPAC name of (3R)-3-methyl-3-(4-methylpent-3-enyl)-3a,4-dihydro-1H-cyclopenta[c]furan-5-one (CID 24779709) is (3R)-3-methyl-3-(4-methylpent-3-enyl)-3a,4-dihydro-1H-cyclopenta[c]furan-5-one.
What is the SMILES notation for (3R)-3-methyl-3-(4-methylpent-3-enyl)-3a,4-dihydro-1H-cyclopenta[c]furan-5-one?
The canonical SMILES for (3R)-3-methyl-3-(4-methylpent-3-enyl)-3a,4-dihydro-1H-cyclopenta[c]furan-5-one is CC(C)=CCC[C@@]1(C)OCC2=CC(=O)CC21.
What is the InChIKey of (3R)-3-methyl-3-(4-methylpent-3-enyl)-3a,4-dihydro-1H-cyclopenta[c]furan-5-one?
The InChIKey is HZAPFZZROKLYFD-ARLHGKGLSA-N. The full InChI is InChI=1S/C14H20O2/c1-10(2)5-4-6-14(3)13-8-12(15)7-11(13)9-16-14/h5,7,13H,4,6,8-9H2,1-3H3/t13?,14-/m1/s1.
What are the key properties of (3R)-3-methyl-3-(4-methylpent-3-enyl)-3a,4-dihydro-1H-cyclopenta[c]furan-5-one?
(3R)-3-methyl-3-(4-methylpent-3-enyl)-3a,4-dihydro-1H-cyclopenta[c]furan-5-one has a molecular weight of 220.31 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-3-(4-methylpent-3-enyl)-3a,4-dihydro-1H-cyclopenta[c]furan-5-one is sourced from PubChem (CID 24779709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).