4,4,5,5-tetramethyl-3,6-dihydro-2H-cyclopenta[b]pyran-7-one

C12H18O2 — CID 11159869

IUPAC4,4,5,5-tetramethyl-3,6-dihydro-2H-cyclopenta[b]pyran-7-one
SMILESCC1(C)CCOC2=C1C(C)(C)CC2=O
InChIInChI=1S/C12H18O2/c1-11(2)5-6-14-9-8(13)7-12(3,4)10(9)11/h5-7H2,1-4H3
InChIKeyMRGFACJAMQHIAT-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.69
Rot. Bonds

About 4,4,5,5-tetramethyl-3,6-dihydro-2H-cyclopenta[b]pyran-7-one

4,4,5,5-tetramethyl-3,6-dihydro-2H-cyclopenta[b]pyran-7-one (PubChem CID 11159869) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-3,6-dihydro-2H-cyclopenta[b]pyran-7-one.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-3,6-dihydro-2H-cyclopenta[b]pyran-7-one
PubChem CID11159869
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name4,4,5,5-tetramethyl-3,6-dihydro-2H-cyclopenta[b]pyran-7-one
SMILESCC1(C)CCOC2=C1C(C)(C)CC2=O
InChIInChI=1S/C12H18O2/c1-11(2)5-6-14-9-8(13)7-12(3,4)10(9)11/h5-7H2,1-4H3
InChIKeyMRGFACJAMQHIAT-UHFFFAOYSA-N
XLogP2.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,5-dimethyl-2,3,4,6-tetrahydrocyclopenta[b]pyran-7-one
CID 71377791
3,3-dimethyl-oxacyclopentadecan-2-one
CID 71147227
4,6-dimethyl-2-oxabicyclo[2.2.2]oct-1(6)-ene-5,7-dione
CID 140502793
(4-methyl-2-oxooxan-4-yl) formate
CID 54294385
(3S)-3-bromo-3-methyloxolan-2-one
CID 15939456
3,3,4,4-tetramethyl-oxacyclopentadecan-2-one
CID 150459671
5,6-dihydroxy-3,3,4,7-tetramethyl-2H-inden-1-one
CID 91518429
(3R)-3-hydroxy-3-methyloxan-2-one
CID 122221331
4-chloro-4-methyl-1,3-dioxan-2-one
CID 154202045
(3R)-3-methyl-2-oxooxolane-3-carbaldehyde
CID 95003018
3,3,4,5,6,7-hexamethyl-2H-inden-1-one
CID 22946125
4,4,5,7-tetramethyl-2,3-dihydrochromen-6-ol
CID 10679800

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-3,6-dihydro-2H-cyclopenta[b]pyran-7-one?
The IUPAC name of 4,4,5,5-tetramethyl-3,6-dihydro-2H-cyclopenta[b]pyran-7-one (CID 11159869) is 4,4,5,5-tetramethyl-3,6-dihydro-2H-cyclopenta[b]pyran-7-one.
What is the SMILES notation for 4,4,5,5-tetramethyl-3,6-dihydro-2H-cyclopenta[b]pyran-7-one?
The canonical SMILES for 4,4,5,5-tetramethyl-3,6-dihydro-2H-cyclopenta[b]pyran-7-one is CC1(C)CCOC2=C1C(C)(C)CC2=O.
What is the InChIKey of 4,4,5,5-tetramethyl-3,6-dihydro-2H-cyclopenta[b]pyran-7-one?
The InChIKey is MRGFACJAMQHIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-11(2)5-6-14-9-8(13)7-12(3,4)10(9)11/h5-7H2,1-4H3.
What are the key properties of 4,4,5,5-tetramethyl-3,6-dihydro-2H-cyclopenta[b]pyran-7-one?
4,4,5,5-tetramethyl-3,6-dihydro-2H-cyclopenta[b]pyran-7-one has a molecular weight of 194.27 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-3,6-dihydro-2H-cyclopenta[b]pyran-7-one is sourced from PubChem (CID 11159869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).