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

C12H18O2 — CID 45098774

IUPAC(6R)-6-butyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
SMILESCCCC[C@@H]1CC2=C(C1=O)OCCC2
InChIInChI=1S/C12H18O2/c1-2-3-5-9-8-10-6-4-7-14-12(10)11(9)13/h9H,2-8H2,1H3/t9-/m1/s1
InChIKeyMVKZZKYMTHXGJU-SECBINFHSA-N
MW194.27 g/mol
LogP2.70
Rot. Bonds3

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

(6R)-6-butyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one (PubChem CID 45098774) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is (6R)-6-butyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one.

Molecular Properties

Compound Name(6R)-6-butyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
PubChem CID45098774
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name(6R)-6-butyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
SMILESCCCC[C@@H]1CC2=C(C1=O)OCCC2
InChIInChI=1S/C12H18O2/c1-2-3-5-9-8-10-6-4-7-14-12(10)11(9)13/h9H,2-8H2,1H3/t9-/m1/s1
InChIKeyMVKZZKYMTHXGJU-SECBINFHSA-N
XLogP2.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity265

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
CID 93508358
(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
6,6-Dimethyl-2,3,4,5,6,7-hexahydrobenzo[b]furan-3,4-dione
CID 905888
6-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
CID 12141478
2-Cyclopentyl-3-methoxy-cyclohex-2-enone
CID 22260071
4H-Furo[3,2-g][1]benzopyran-4,9(5H)-dione, 2,3,6,7-tetrahydro-3-methyl-6-(1-methylethyl)-
CID 621732
5,6-dimethyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
CID 72779981
2-Methoxy-3,6-dimethylcyclohex-2-en-1-one
CID 123944444

Frequently Asked Questions

What is the IUPAC name of (6R)-6-butyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
The IUPAC name of (6R)-6-butyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one (CID 45098774) is (6R)-6-butyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one.
What is the SMILES notation for (6R)-6-butyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
The canonical SMILES for (6R)-6-butyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one is CCCC[C@@H]1CC2=C(C1=O)OCCC2.
What is the InChIKey of (6R)-6-butyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
The InChIKey is MVKZZKYMTHXGJU-SECBINFHSA-N. The full InChI is InChI=1S/C12H18O2/c1-2-3-5-9-8-10-6-4-7-14-12(10)11(9)13/h9H,2-8H2,1H3/t9-/m1/s1.
What are the key properties of (6R)-6-butyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one?
(6R)-6-butyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one has a molecular weight of 194.27 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-butyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one is sourced from PubChem (CID 45098774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).