(6S,6aS)-3,3-dimethyl-6-(oxan-2-yloxymethyl)-6,6a-dihydro-1H-cyclopenta[c]furan-5-one

C15H22O4 — CID 11623124

IUPAC(6S,6aS)-3,3-dimethyl-6-(oxan-2-yloxymethyl)-6,6a-dihydro-1H-cyclopenta[c]furan-5-one
SMILESCC1(C)OC[C@@H]2C1=CC(=O)[C@@H]2COC1CCCCO1
InChIInChI=1S/C15H22O4/c1-15(2)12-7-13(16)11(10(12)9-19-15)8-18-14-5-3-4-6-17-14/h7,10-11,14H,3-6,8-9H2,1-2H3/t10-,11+,14?/m0/s1
InChIKeyZSGLEKHXEXAXGU-VJDHTCGKSA-N
MW266.34 g/mol
LogP2.08
Rot. Bonds3

About (6S,6aS)-3,3-dimethyl-6-(oxan-2-yloxymethyl)-6,6a-dihydro-1H-cyclopenta[c]furan-5-one

(6S,6aS)-3,3-dimethyl-6-(oxan-2-yloxymethyl)-6,6a-dihydro-1H-cyclopenta[c]furan-5-one (PubChem CID 11623124) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is (6S,6aS)-3,3-dimethyl-6-(oxan-2-yloxymethyl)-6,6a-dihydro-1H-cyclopenta[c]furan-5-one.

Molecular Properties

Compound Name(6S,6aS)-3,3-dimethyl-6-(oxan-2-yloxymethyl)-6,6a-dihydro-1H-cyclopenta[c]furan-5-one
PubChem CID11623124
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name(6S,6aS)-3,3-dimethyl-6-(oxan-2-yloxymethyl)-6,6a-dihydro-1H-cyclopenta[c]furan-5-one
SMILESCC1(C)OC[C@@H]2C1=CC(=O)[C@@H]2COC1CCCCO1
InChIInChI=1S/C15H22O4/c1-15(2)12-7-13(16)11(10(12)9-19-15)8-18-14-5-3-4-6-17-14/h7,10-11,14H,3-6,8-9H2,1-2H3/t10-,11+,14?/m0/s1
InChIKeyZSGLEKHXEXAXGU-VJDHTCGKSA-N
XLogP2.08
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6S,6aS)-3,3-dimethyl-6-(oxan-2-yloxymethyl)-6,6a-dihydro-1H-cyclopenta[c]furan-5-one?
The IUPAC name of (6S,6aS)-3,3-dimethyl-6-(oxan-2-yloxymethyl)-6,6a-dihydro-1H-cyclopenta[c]furan-5-one (CID 11623124) is (6S,6aS)-3,3-dimethyl-6-(oxan-2-yloxymethyl)-6,6a-dihydro-1H-cyclopenta[c]furan-5-one.
What is the SMILES notation for (6S,6aS)-3,3-dimethyl-6-(oxan-2-yloxymethyl)-6,6a-dihydro-1H-cyclopenta[c]furan-5-one?
The canonical SMILES for (6S,6aS)-3,3-dimethyl-6-(oxan-2-yloxymethyl)-6,6a-dihydro-1H-cyclopenta[c]furan-5-one is CC1(C)OC[C@@H]2C1=CC(=O)[C@@H]2COC1CCCCO1.
What is the InChIKey of (6S,6aS)-3,3-dimethyl-6-(oxan-2-yloxymethyl)-6,6a-dihydro-1H-cyclopenta[c]furan-5-one?
The InChIKey is ZSGLEKHXEXAXGU-VJDHTCGKSA-N. The full InChI is InChI=1S/C15H22O4/c1-15(2)12-7-13(16)11(10(12)9-19-15)8-18-14-5-3-4-6-17-14/h7,10-11,14H,3-6,8-9H2,1-2H3/t10-,11+,14?/m0/s1.
What are the key properties of (6S,6aS)-3,3-dimethyl-6-(oxan-2-yloxymethyl)-6,6a-dihydro-1H-cyclopenta[c]furan-5-one?
(6S,6aS)-3,3-dimethyl-6-(oxan-2-yloxymethyl)-6,6a-dihydro-1H-cyclopenta[c]furan-5-one has a molecular weight of 266.34 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,6aS)-3,3-dimethyl-6-(oxan-2-yloxymethyl)-6,6a-dihydro-1H-cyclopenta[c]furan-5-one is sourced from PubChem (CID 11623124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).