(3aR,6aS)-3,3-dimethyl-3a,6a-dihydro-1H-cyclopenta[c]furan-6-one

C9H12O2 — CID 134854582

IUPAC(3aR,6aS)-3,3-dimethyl-3a,6a-dihydro-1H-cyclopenta[c]furan-6-one
SMILESCC1(C)OC[C@H]2C(=O)C=C[C@H]21
InChIInChI=1S/C9H12O2/c1-9(2)7-3-4-8(10)6(7)5-11-9/h3-4,6-7H,5H2,1-2H3/t6-,7-/m1/s1
InChIKeyMAKUAPYRVAWAJN-RNFRBKRXSA-N
MW152.19 g/mol
LogP1.17
Rot. Bonds

About (3aR,6aS)-3,3-dimethyl-3a,6a-dihydro-1H-cyclopenta[c]furan-6-one

(3aR,6aS)-3,3-dimethyl-3a,6a-dihydro-1H-cyclopenta[c]furan-6-one (PubChem CID 134854582) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is (3aR,6aS)-3,3-dimethyl-3a,6a-dihydro-1H-cyclopenta[c]furan-6-one.

Molecular Properties

Compound Name(3aR,6aS)-3,3-dimethyl-3a,6a-dihydro-1H-cyclopenta[c]furan-6-one
PubChem CID134854582
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name(3aR,6aS)-3,3-dimethyl-3a,6a-dihydro-1H-cyclopenta[c]furan-6-one
SMILESCC1(C)OC[C@H]2C(=O)C=C[C@H]21
InChIInChI=1S/C9H12O2/c1-9(2)7-3-4-8(10)6(7)5-11-9/h3-4,6-7H,5H2,1-2H3/t6-,7-/m1/s1
InChIKeyMAKUAPYRVAWAJN-RNFRBKRXSA-N
XLogP1.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-3,3-dimethyl-3a,6a-dihydro-1H-cyclopenta[c]furan-6-one?
The IUPAC name of (3aR,6aS)-3,3-dimethyl-3a,6a-dihydro-1H-cyclopenta[c]furan-6-one (CID 134854582) is (3aR,6aS)-3,3-dimethyl-3a,6a-dihydro-1H-cyclopenta[c]furan-6-one.
What is the SMILES notation for (3aR,6aS)-3,3-dimethyl-3a,6a-dihydro-1H-cyclopenta[c]furan-6-one?
The canonical SMILES for (3aR,6aS)-3,3-dimethyl-3a,6a-dihydro-1H-cyclopenta[c]furan-6-one is CC1(C)OC[C@H]2C(=O)C=C[C@H]21.
What is the InChIKey of (3aR,6aS)-3,3-dimethyl-3a,6a-dihydro-1H-cyclopenta[c]furan-6-one?
The InChIKey is MAKUAPYRVAWAJN-RNFRBKRXSA-N. The full InChI is InChI=1S/C9H12O2/c1-9(2)7-3-4-8(10)6(7)5-11-9/h3-4,6-7H,5H2,1-2H3/t6-,7-/m1/s1.
What are the key properties of (3aR,6aS)-3,3-dimethyl-3a,6a-dihydro-1H-cyclopenta[c]furan-6-one?
(3aR,6aS)-3,3-dimethyl-3a,6a-dihydro-1H-cyclopenta[c]furan-6-one has a molecular weight of 152.19 g/mol, XLogP of 1.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-3,3-dimethyl-3a,6a-dihydro-1H-cyclopenta[c]furan-6-one is sourced from PubChem (CID 134854582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).