1-(6a-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-yl)-4,4-dimethyloctan-1-one

C18H32O2 — CID 57297231

IUPAC1-(6a-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-yl)-4,4-dimethyloctan-1-one
SMILESCCCCC(C)(C)CCC(=O)C12CCCC1(C)OCC2
InChIInChI=1S/C18H32O2/c1-5-6-9-16(2,3)12-8-15(19)18-11-7-10-17(18,4)20-14-13-18/h5-14H2,1-4H3
InChIKeyIIYFOPLUOBALRC-UHFFFAOYSA-N
MW280.45 g/mol
LogP4.90
Rot. Bonds7

About 1-(6a-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-yl)-4,4-dimethyloctan-1-one

1-(6a-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-yl)-4,4-dimethyloctan-1-one (PubChem CID 57297231) has the molecular formula C18H32O2 and a molecular weight of 280.45 g/mol. Its IUPAC name is 1-(6a-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-yl)-4,4-dimethyloctan-1-one.

Molecular Properties

Compound Name1-(6a-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-yl)-4,4-dimethyloctan-1-one
PubChem CID57297231
Molecular FormulaC18H32O2
Molecular Weight280.45 g/mol
Exact Mass280.24
IUPAC Name1-(6a-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-yl)-4,4-dimethyloctan-1-one
SMILESCCCCC(C)(C)CCC(=O)C12CCCC1(C)OCC2
InChIInChI=1S/C18H32O2/c1-5-6-9-16(2,3)12-8-15(19)18-11-7-10-17(18,4)20-14-13-18/h5-14H2,1-4H3
InChIKeyIIYFOPLUOBALRC-UHFFFAOYSA-N
XLogP4.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.45
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(6a-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-yl)-4,4-dimethyloctan-1-one with MolForge

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Launch Full Analysis

Related Compounds

3a-[(4S)-4-fluoro-4-methyloctanoyl]-6a-methyl-3,4,5,6-tetrahydrocyclopenta[b]furan-2-one
CID 57183912
1-[(2R,3R,3aS,6aS)-2-ethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-yl]pentan-1-one
CID 12061548
1-Methyl-6-oxaspiro[4.4]nonan-2-one
CID 14028106
3-(6,6,6a-trimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan-2-yl)-3-methylbutan-2-one
CID 2755506
(5R)-3-butyl-3-methyl-2-oxaspiro[4.4]nonan-9-one
CID 46896872
3a-(4,4-Dimethyloctanoyl)-6a-methyl-3,4,5,6-tetrahydrocyclopenta[b]furan-2-one
CID 53913147
6a-methyl-3a-[(4R)-4-methyloctanoyl]-3,4,5,6-tetrahydrocyclopenta[b]furan-2-one
CID 57131613
1-(2,2,4,4,5,6a-Hexamethyl-3,3a,5,6-tetrahydrocyclopenta[b]furan-3-yl)ethanone
CID 59012708
3-Ethyl-1-[1-(methoxymethyl)-2-methylcyclopentyl]heptan-1-one
CID 66919688
3-[(2S,3aS,6aR)-6,6,6a-trimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan-2-yl]-3-methylbutan-2-one
CID 7057528
3-[(2R,3aS,6aR)-6,6,6a-trimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan-2-yl]-3-methylbutan-2-one
CID 7057529
3-[(2S,3aR,6aR)-6,6,6a-trimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan-2-yl]-3-methylbutan-2-one
CID 7057530

Frequently Asked Questions

What is the IUPAC name of 1-(6a-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-yl)-4,4-dimethyloctan-1-one?
The IUPAC name of 1-(6a-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-yl)-4,4-dimethyloctan-1-one (CID 57297231) is 1-(6a-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-yl)-4,4-dimethyloctan-1-one.
What is the SMILES notation for 1-(6a-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-yl)-4,4-dimethyloctan-1-one?
The canonical SMILES for 1-(6a-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-yl)-4,4-dimethyloctan-1-one is CCCCC(C)(C)CCC(=O)C12CCCC1(C)OCC2.
What is the InChIKey of 1-(6a-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-yl)-4,4-dimethyloctan-1-one?
The InChIKey is IIYFOPLUOBALRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O2/c1-5-6-9-16(2,3)12-8-15(19)18-11-7-10-17(18,4)20-14-13-18/h5-14H2,1-4H3.
What are the key properties of 1-(6a-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-yl)-4,4-dimethyloctan-1-one?
1-(6a-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-yl)-4,4-dimethyloctan-1-one has a molecular weight of 280.45 g/mol, XLogP of 4.90, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6a-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-yl)-4,4-dimethyloctan-1-one is sourced from PubChem (CID 57297231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).