(3aS,6S,6aR)-6a-methylspiro[4,5-dihydro-3aH-cyclopenta[b]furan-6,3'-oxolane]-2'-one

C11H14O3 — CID 162418951

IUPAC(3aS,6S,6aR)-6a-methylspiro[4,5-dihydro-3aH-cyclopenta[b]furan-6,3'-oxolane]-2'-one
SMILESC[C@@]12OC=C[C@@H]1CC[C@]21CCOC1=O
InChIInChI=1S/C11H14O3/c1-10-8(3-6-14-10)2-4-11(10)5-7-13-9(11)12/h3,6,8H,2,4-5,7H2,1H3/t8-,10+,11+/m0/s1
InChIKeyIIPGGRHEKPKXMS-JMJZKYOTSA-N
MW194.23 g/mol
LogP1.63
Rot. Bonds

About (3aS,6S,6aR)-6a-methylspiro[4,5-dihydro-3aH-cyclopenta[b]furan-6,3'-oxolane]-2'-one

(3aS,6S,6aR)-6a-methylspiro[4,5-dihydro-3aH-cyclopenta[b]furan-6,3'-oxolane]-2'-one (PubChem CID 162418951) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is (3aS,6S,6aR)-6a-methylspiro[4,5-dihydro-3aH-cyclopenta[b]furan-6,3'-oxolane]-2'-one.

Molecular Properties

Compound Name(3aS,6S,6aR)-6a-methylspiro[4,5-dihydro-3aH-cyclopenta[b]furan-6,3'-oxolane]-2'-one
PubChem CID162418951
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name(3aS,6S,6aR)-6a-methylspiro[4,5-dihydro-3aH-cyclopenta[b]furan-6,3'-oxolane]-2'-one
SMILESC[C@@]12OC=C[C@@H]1CC[C@]21CCOC1=O
InChIInChI=1S/C11H14O3/c1-10-8(3-6-14-10)2-4-11(10)5-7-13-9(11)12/h3,6,8H,2,4-5,7H2,1H3/t8-,10+,11+/m0/s1
InChIKeyIIPGGRHEKPKXMS-JMJZKYOTSA-N
XLogP1.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3aS,6S,6aR)-6a-methylspiro[4,5-dihydro-3aH-cyclopenta[b]furan-6,3'-oxolane]-2'-one with MolForge

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Related Compounds

methyl (3aS,4R,6aR)-4-but-3-enyl-3-oxo-4,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3a-carboxylate
CID 10705091
methyl (3aS,6S,6aR)-6-ethenyl-3-oxo-4,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3a-carboxylate
CID 10822332
methyl (6S,9S)-6,9-bis(ethenyl)-2-oxo-1-oxaspiro[4.4]nonane-3-carboxylate
CID 11322659
Methyl 6,9-bis(ethenyl)-2-oxo-1-oxaspiro[4.4]nonane-3-carboxylate
CID 72801077
methyl (3aS,6aS)-6a-but-3-enyl-2-methyl-5,6-dihydro-4H-cyclopenta[b]furan-3a-carboxylate
CID 135039870
ethyl (1R,3aS,4R,6aR)-2-methoxy-1,3a-dimethyl-4-propan-2-yl-6a-prop-2-enyl-5,6-dihydro-4H-pentalene-1-carboxylate
CID 138979913
ethyl (3aR,5aR,9aS)-4,5,6,7,8,9-hexahydro-3aH-indeno[7a,1-b]furan-5a-carboxylate
CID 162418840
methyl (3R,6S,9R)-6,9-bis(ethenyl)-2-oxo-3-propan-2-yl-1-oxaspiro[4.4]nonane-3-carboxylate
CID 10541676
methyl (3S,6R,9S)-6,9-bis(ethenyl)-2-oxo-1-oxaspiro[4.4]nonane-3-carboxylate
CID 10634412
methyl (3S,6R,9S)-6,9-bis(ethenyl)-3-methyl-2-oxo-1-oxaspiro[4.4]nonane-3-carboxylate
CID 10849207
(6S,9S)-6,9-bis(ethenyl)-3,3-dimethyl-1-oxaspiro[4.4]nonan-2-one
CID 10987794
methyl (3R,5S,6R,9R)-9-acetyl-6-ethenyl-2-oxo-3-propan-2-yl-1-oxaspiro[4.4]nonane-3-carboxylate
CID 11120394

Frequently Asked Questions

What is the IUPAC name of (3aS,6S,6aR)-6a-methylspiro[4,5-dihydro-3aH-cyclopenta[b]furan-6,3'-oxolane]-2'-one?
The IUPAC name of (3aS,6S,6aR)-6a-methylspiro[4,5-dihydro-3aH-cyclopenta[b]furan-6,3'-oxolane]-2'-one (CID 162418951) is (3aS,6S,6aR)-6a-methylspiro[4,5-dihydro-3aH-cyclopenta[b]furan-6,3'-oxolane]-2'-one.
What is the SMILES notation for (3aS,6S,6aR)-6a-methylspiro[4,5-dihydro-3aH-cyclopenta[b]furan-6,3'-oxolane]-2'-one?
The canonical SMILES for (3aS,6S,6aR)-6a-methylspiro[4,5-dihydro-3aH-cyclopenta[b]furan-6,3'-oxolane]-2'-one is C[C@@]12OC=C[C@@H]1CC[C@]21CCOC1=O.
What is the InChIKey of (3aS,6S,6aR)-6a-methylspiro[4,5-dihydro-3aH-cyclopenta[b]furan-6,3'-oxolane]-2'-one?
The InChIKey is IIPGGRHEKPKXMS-JMJZKYOTSA-N. The full InChI is InChI=1S/C11H14O3/c1-10-8(3-6-14-10)2-4-11(10)5-7-13-9(11)12/h3,6,8H,2,4-5,7H2,1H3/t8-,10+,11+/m0/s1.
What are the key properties of (3aS,6S,6aR)-6a-methylspiro[4,5-dihydro-3aH-cyclopenta[b]furan-6,3'-oxolane]-2'-one?
(3aS,6S,6aR)-6a-methylspiro[4,5-dihydro-3aH-cyclopenta[b]furan-6,3'-oxolane]-2'-one has a molecular weight of 194.23 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6S,6aR)-6a-methylspiro[4,5-dihydro-3aH-cyclopenta[b]furan-6,3'-oxolane]-2'-one is sourced from PubChem (CID 162418951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).