(6aR)-4-pentyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one

C12H18O2 — CID 100936579

IUPAC(6aR)-4-pentyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
SMILESCCCCCC1=C2COC[C@@H]2CC1=O
InChIInChI=1S/C12H18O2/c1-2-3-4-5-10-11-8-14-7-9(11)6-12(10)13/h9H,2-8H2,1H3/t9-/m0/s1
InChIKeyUJAJUPLCNXAXAL-VIFPVBQESA-N
MW194.27 g/mol
LogP2.48
Rot. Bonds4

About (6aR)-4-pentyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one

(6aR)-4-pentyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one (PubChem CID 100936579) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is (6aR)-4-pentyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one.

Molecular Properties

Compound Name(6aR)-4-pentyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
PubChem CID100936579
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name(6aR)-4-pentyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
SMILESCCCCCC1=C2COC[C@@H]2CC1=O
InChIInChI=1S/C12H18O2/c1-2-3-4-5-10-11-8-14-7-9(11)6-12(10)13/h9H,2-8H2,1H3/t9-/m0/s1
InChIKeyUJAJUPLCNXAXAL-VIFPVBQESA-N
XLogP2.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-methyl-3-(4-methylpent-3-enyl)-3a,4-dihydro-1H-cyclopenta[c]furan-5-one
CID 24779709
6-Methyl-1,3,3a,4-tetrahydro-cyclopenta[c]furan-5-one
CID 10329360
1,1-dimethyl-3a,4-dihydro-1H-cyclopenta[c]furan-5(3H)-one
CID 13332066
1-Cyclopentene-1-carboxylic acid, 2-methyl-3-oxo-4-pentyl-, ethyl ester
CID 9991799
4-methyl-6,6a-dihydro-1H-cyclopenta[c]furan-3,5-dione
CID 10419365
(6aS)-4-methyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
CID 11205784
1-Methyl-3a,4-dihydro-1H-cyclopenta[c]furan-5(3H)-one
CID 13332065
(3S,6aS)-3-cyclohexyl-4-trimethylsilyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
CID 49817425
(3S,6aS)-3-cyclohexyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
CID 49817426
[(1R,3aS)-6-butyl-5-oxo-2,3,3a,4-tetrahydro-1H-pentalen-1-yl] acetate
CID 49818604
(6aR)-4-methyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
CID 92543638
5-(2-Oxopropyl)-1,3,4,5,6,7-hexahydrocyclopenta[e][2]benzofuran-8-one
CID 134850959

Frequently Asked Questions

What is the IUPAC name of (6aR)-4-pentyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
The IUPAC name of (6aR)-4-pentyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one (CID 100936579) is (6aR)-4-pentyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one.
What is the SMILES notation for (6aR)-4-pentyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
The canonical SMILES for (6aR)-4-pentyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one is CCCCCC1=C2COC[C@@H]2CC1=O.
What is the InChIKey of (6aR)-4-pentyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
The InChIKey is UJAJUPLCNXAXAL-VIFPVBQESA-N. The full InChI is InChI=1S/C12H18O2/c1-2-3-4-5-10-11-8-14-7-9(11)6-12(10)13/h9H,2-8H2,1H3/t9-/m0/s1.
What are the key properties of (6aR)-4-pentyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
(6aR)-4-pentyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one has a molecular weight of 194.27 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR)-4-pentyl-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one is sourced from PubChem (CID 100936579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).