(3aR,6aS)-3,3-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1-one

C9H14O2 — CID 13468751

IUPAC(3aR,6aS)-3,3-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1-one
SMILESCC1(C)OC(=O)[C@H]2CCC[C@H]21
InChIInChI=1S/C9H14O2/c1-9(2)7-5-3-4-6(7)8(10)11-9/h6-7H,3-5H2,1-2H3/t6-,7+/m0/s1
InChIKeyYYMZLTQHBPAVPD-NKWVEPMBSA-N
MW154.21 g/mol
LogP1.74
Rot. Bonds

About (3aR,6aS)-3,3-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1-one

(3aR,6aS)-3,3-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1-one (PubChem CID 13468751) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (3aR,6aS)-3,3-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1-one.

Molecular Properties

Compound Name(3aR,6aS)-3,3-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1-one
PubChem CID13468751
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(3aR,6aS)-3,3-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1-one
SMILESCC1(C)OC(=O)[C@H]2CCC[C@H]21
InChIInChI=1S/C9H14O2/c1-9(2)7-5-3-4-6(7)8(10)11-9/h6-7H,3-5H2,1-2H3/t6-,7+/m0/s1
InChIKeyYYMZLTQHBPAVPD-NKWVEPMBSA-N
XLogP1.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3aR,6aS)-3,3-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1-one with MolForge

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Related Compounds

6-Methyl-2-oxaspiro[4.4]nonane-1-one
CID 10511073
tetrahydro-1H-cyclopenta(c)furan-1,3(3aH)-dione
CID 98977
cis-tetrahydro-1H-cyclopenta[c]furan-1,3(4H)-dione
CID 10920594
1-Oxaspiro(4.4)nonan-2-one
CID 11007989
(3aS,6aS)-6a-fluoro-4,4-dimethyl-3,3a,5,6-tetrahydrocyclopenta[b]furan-2-one
CID 177851403
(3aS,6aS)-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one
CID 10909649
(3aS,6R,6aR)-3,3,6-trimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1-one
CID 11217473
(3S,3aS,6aS)-3-ethyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 139265863
(3R,3aS,6aS)-3-ethyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 139265865
Hexahydro-6,6,6a-trimethyl-2H-cyclopenta(b)furan-2-one
CID 110701
3-Oxabicyclo[3.3.0]octan-2-one, 7-methylene-4,4-dimethyl-
CID 556218
1,4-Dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one
CID 12313276

Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-3,3-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1-one?
The IUPAC name of (3aR,6aS)-3,3-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1-one (CID 13468751) is (3aR,6aS)-3,3-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1-one.
What is the SMILES notation for (3aR,6aS)-3,3-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1-one?
The canonical SMILES for (3aR,6aS)-3,3-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1-one is CC1(C)OC(=O)[C@H]2CCC[C@H]21.
What is the InChIKey of (3aR,6aS)-3,3-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1-one?
The InChIKey is YYMZLTQHBPAVPD-NKWVEPMBSA-N. The full InChI is InChI=1S/C9H14O2/c1-9(2)7-5-3-4-6(7)8(10)11-9/h6-7H,3-5H2,1-2H3/t6-,7+/m0/s1.
What are the key properties of (3aR,6aS)-3,3-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1-one?
(3aR,6aS)-3,3-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1-one has a molecular weight of 154.21 g/mol, XLogP of 1.74, 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-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1-one is sourced from PubChem (CID 13468751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).