(5R)-3-methyl-5-propyl-4,5-dihydrocyclopenta[b]furan-6-one

C11H14O2 — CID 163887458

IUPAC(5R)-3-methyl-5-propyl-4,5-dihydrocyclopenta[b]furan-6-one
SMILESCCC[C@@H]1Cc2c(C)coc2C1=O
InChIInChI=1S/C11H14O2/c1-3-4-8-5-9-7(2)6-13-11(9)10(8)12/h6,8H,3-5H2,1-2H3/t8-/m1/s1
InChIKeyPYQJCPMUFIVQJF-MRVPVSSYSA-N
MW178.23 g/mol
LogP2.74
Rot. Bonds2

About (5R)-3-methyl-5-propyl-4,5-dihydrocyclopenta[b]furan-6-one

(5R)-3-methyl-5-propyl-4,5-dihydrocyclopenta[b]furan-6-one (PubChem CID 163887458) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is (5R)-3-methyl-5-propyl-4,5-dihydrocyclopenta[b]furan-6-one.

Molecular Properties

Compound Name(5R)-3-methyl-5-propyl-4,5-dihydrocyclopenta[b]furan-6-one
PubChem CID163887458
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name(5R)-3-methyl-5-propyl-4,5-dihydrocyclopenta[b]furan-6-one
SMILESCCC[C@@H]1Cc2c(C)coc2C1=O
InChIInChI=1S/C11H14O2/c1-3-4-8-5-9-7(2)6-13-11(9)10(8)12/h6,8H,3-5H2,1-2H3/t8-/m1/s1
InChIKeyPYQJCPMUFIVQJF-MRVPVSSYSA-N
XLogP2.74
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-methyl-5-propyl-4,5-dihydrocyclopenta[b]furan-6-one?
The IUPAC name of (5R)-3-methyl-5-propyl-4,5-dihydrocyclopenta[b]furan-6-one (CID 163887458) is (5R)-3-methyl-5-propyl-4,5-dihydrocyclopenta[b]furan-6-one.
What is the SMILES notation for (5R)-3-methyl-5-propyl-4,5-dihydrocyclopenta[b]furan-6-one?
The canonical SMILES for (5R)-3-methyl-5-propyl-4,5-dihydrocyclopenta[b]furan-6-one is CCC[C@@H]1Cc2c(C)coc2C1=O.
What is the InChIKey of (5R)-3-methyl-5-propyl-4,5-dihydrocyclopenta[b]furan-6-one?
The InChIKey is PYQJCPMUFIVQJF-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14O2/c1-3-4-8-5-9-7(2)6-13-11(9)10(8)12/h6,8H,3-5H2,1-2H3/t8-/m1/s1.
What are the key properties of (5R)-3-methyl-5-propyl-4,5-dihydrocyclopenta[b]furan-6-one?
(5R)-3-methyl-5-propyl-4,5-dihydrocyclopenta[b]furan-6-one has a molecular weight of 178.23 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-methyl-5-propyl-4,5-dihydrocyclopenta[b]furan-6-one is sourced from PubChem (CID 163887458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).