(6S,6aR)-6-methylspiro[6,6a-dihydro-1H-cyclopenta[c]furan-3,1'-cyclohexane]-5-one

C13H18O2 — CID 23259753

IUPAC(6S,6aR)-6-methylspiro[6,6a-dihydro-1H-cyclopenta[c]furan-3,1'-cyclohexane]-5-one
SMILESC[C@@H]1C(=O)C=C2[C@@H]1COC21CCCCC1
InChIInChI=1S/C13H18O2/c1-9-10-8-15-13(5-3-2-4-6-13)11(10)7-12(9)14/h7,9-10H,2-6,8H2,1H3/t9-,10+/m0/s1
InChIKeyXSECTLJAAASKGD-VHSXEESVSA-N
MW206.28 g/mol
LogP2.48
Rot. Bonds

About (6S,6aR)-6-methylspiro[6,6a-dihydro-1H-cyclopenta[c]furan-3,1'-cyclohexane]-5-one

(6S,6aR)-6-methylspiro[6,6a-dihydro-1H-cyclopenta[c]furan-3,1'-cyclohexane]-5-one (PubChem CID 23259753) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is (6S,6aR)-6-methylspiro[6,6a-dihydro-1H-cyclopenta[c]furan-3,1'-cyclohexane]-5-one.

Molecular Properties

Compound Name(6S,6aR)-6-methylspiro[6,6a-dihydro-1H-cyclopenta[c]furan-3,1'-cyclohexane]-5-one
PubChem CID23259753
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name(6S,6aR)-6-methylspiro[6,6a-dihydro-1H-cyclopenta[c]furan-3,1'-cyclohexane]-5-one
SMILESC[C@@H]1C(=O)C=C2[C@@H]1COC21CCCCC1
InChIInChI=1S/C13H18O2/c1-9-10-8-15-13(5-3-2-4-6-13)11(10)7-12(9)14/h7,9-10H,2-6,8H2,1H3/t9-,10+/m0/s1
InChIKeyXSECTLJAAASKGD-VHSXEESVSA-N
XLogP2.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (6S,6aR)-6-methylspiro[6,6a-dihydro-1H-cyclopenta[c]furan-3,1'-cyclohexane]-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
(3R)-3-methyl-3-(4-methylpent-3-enyl)-3a,4-dihydro-1H-cyclopenta[c]furan-5-one
CID 24779709
(-)-Theaspirone
CID 12443396
1,1-dimethyl-3a,4-dihydro-1H-cyclopenta[c]furan-5(3H)-one
CID 13332066
(2r,5s)-2,6,10,10-Tetramethyl-1-oxaspiro[4.5]dec-6-en-8-one
CID 11830646
(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
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
(3S,4R,7R,10S,13R)-4,12,12-trimethyl-8-methylidene-11-oxatetracyclo[8.5.1.03,7.013,16]hexadec-1(16)-en-15-one
CID 134924259

Frequently Asked Questions

What is the IUPAC name of (6S,6aR)-6-methylspiro[6,6a-dihydro-1H-cyclopenta[c]furan-3,1'-cyclohexane]-5-one?
The IUPAC name of (6S,6aR)-6-methylspiro[6,6a-dihydro-1H-cyclopenta[c]furan-3,1'-cyclohexane]-5-one (CID 23259753) is (6S,6aR)-6-methylspiro[6,6a-dihydro-1H-cyclopenta[c]furan-3,1'-cyclohexane]-5-one.
What is the SMILES notation for (6S,6aR)-6-methylspiro[6,6a-dihydro-1H-cyclopenta[c]furan-3,1'-cyclohexane]-5-one?
The canonical SMILES for (6S,6aR)-6-methylspiro[6,6a-dihydro-1H-cyclopenta[c]furan-3,1'-cyclohexane]-5-one is C[C@@H]1C(=O)C=C2[C@@H]1COC21CCCCC1.
What is the InChIKey of (6S,6aR)-6-methylspiro[6,6a-dihydro-1H-cyclopenta[c]furan-3,1'-cyclohexane]-5-one?
The InChIKey is XSECTLJAAASKGD-VHSXEESVSA-N. The full InChI is InChI=1S/C13H18O2/c1-9-10-8-15-13(5-3-2-4-6-13)11(10)7-12(9)14/h7,9-10H,2-6,8H2,1H3/t9-,10+/m0/s1.
What are the key properties of (6S,6aR)-6-methylspiro[6,6a-dihydro-1H-cyclopenta[c]furan-3,1'-cyclohexane]-5-one?
(6S,6aR)-6-methylspiro[6,6a-dihydro-1H-cyclopenta[c]furan-3,1'-cyclohexane]-5-one has a molecular weight of 206.28 g/mol, XLogP of 2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,6aR)-6-methylspiro[6,6a-dihydro-1H-cyclopenta[c]furan-3,1'-cyclohexane]-5-one is sourced from PubChem (CID 23259753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).