(5S)-5-cyclohexyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one

C14H20O2 — CID 135055538

IUPAC(5S)-5-cyclohexyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
SMILESO=C1C[C@@H](C2CCCCC2)C2=C1OCCC2
InChIInChI=1S/C14H20O2/c15-13-9-12(10-5-2-1-3-6-10)11-7-4-8-16-14(11)13/h10,12H,1-9H2/t12-/m0/s1
InChIKeyIVMRBUSGNGJXFD-LBPRGKRZSA-N
MW220.31 g/mol
LogP3.22
Rot. Bonds1

About (5S)-5-cyclohexyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one

(5S)-5-cyclohexyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one (PubChem CID 135055538) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is (5S)-5-cyclohexyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one.

Molecular Properties

Compound Name(5S)-5-cyclohexyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
PubChem CID135055538
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name(5S)-5-cyclohexyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
SMILESO=C1C[C@@H](C2CCCCC2)C2=C1OCCC2
InChIInChI=1S/C14H20O2/c15-13-9-12(10-5-2-1-3-6-10)11-7-4-8-16-14(11)13/h10,12H,1-9H2/t12-/m0/s1
InChIKeyIVMRBUSGNGJXFD-LBPRGKRZSA-N
XLogP3.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Taiwaniaquinone G
CID 25199270
5-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
CID 11412478
(6S)-6-hexyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
CID 25223926
(6S)-6-ethyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
CID 101274655
(6S)-6-nonyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
CID 102284592
(6S)-6-propyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
CID 135055622
6-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
CID 12141478
1-Methoxy-4,4a,5,6,7,8-hexahydro-2(3H)-naphthalenone
CID 534313
(5aR,8aS)-7,7-dimethyl-2,3,5a,6,8,8a-hexahydro-1H-pentaleno[2,1-b]pyran-5-one
CID 11195103
5-[(E)-prop-1-enyl]-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
CID 11240800
(5aR,8aS)-1,2,3,5a,6,7,8,8a-octahydropentaleno[2,1-b]pyran-5-one
CID 11321284
(6S)-6-tert-butyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
CID 11788795

Frequently Asked Questions

What is the IUPAC name of (5S)-5-cyclohexyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
The IUPAC name of (5S)-5-cyclohexyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one (CID 135055538) is (5S)-5-cyclohexyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one.
What is the SMILES notation for (5S)-5-cyclohexyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
The canonical SMILES for (5S)-5-cyclohexyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one is O=C1C[C@@H](C2CCCCC2)C2=C1OCCC2.
What is the InChIKey of (5S)-5-cyclohexyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
The InChIKey is IVMRBUSGNGJXFD-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20O2/c15-13-9-12(10-5-2-1-3-6-10)11-7-4-8-16-14(11)13/h10,12H,1-9H2/t12-/m0/s1.
What are the key properties of (5S)-5-cyclohexyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
(5S)-5-cyclohexyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one has a molecular weight of 220.31 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-cyclohexyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one is sourced from PubChem (CID 135055538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).