(9aR)-3a,4,5,6,7,8,9,9a-octahydro-3H-cycloocta[b]furan-2-one

C10H16O2 — CID 101268349

IUPAC(9aR)-3a,4,5,6,7,8,9,9a-octahydro-3H-cycloocta[b]furan-2-one
SMILESO=C1CC2CCCCCC[C@H]2O1
InChIInChI=1S/C10H16O2/c11-10-7-8-5-3-1-2-4-6-9(8)12-10/h8-9H,1-7H2/t8?,9-/m1/s1
InChIKeyZBRBEWHKLHIEOT-YGPZHTELSA-N
MW168.24 g/mol
LogP2.27
Rot. Bonds

About (9aR)-3a,4,5,6,7,8,9,9a-octahydro-3H-cycloocta[b]furan-2-one

(9aR)-3a,4,5,6,7,8,9,9a-octahydro-3H-cycloocta[b]furan-2-one (PubChem CID 101268349) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (9aR)-3a,4,5,6,7,8,9,9a-octahydro-3H-cycloocta[b]furan-2-one.

Molecular Properties

Compound Name(9aR)-3a,4,5,6,7,8,9,9a-octahydro-3H-cycloocta[b]furan-2-one
PubChem CID101268349
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(9aR)-3a,4,5,6,7,8,9,9a-octahydro-3H-cycloocta[b]furan-2-one
SMILESO=C1CC2CCCCCC[C@H]2O1
InChIInChI=1S/C10H16O2/c11-10-7-8-5-3-1-2-4-6-9(8)12-10/h8-9H,1-7H2/t8?,9-/m1/s1
InChIKeyZBRBEWHKLHIEOT-YGPZHTELSA-N
XLogP2.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (9aR)-3a,4,5,6,7,8,9,9a-octahydro-3H-cycloocta[b]furan-2-one?
The IUPAC name of (9aR)-3a,4,5,6,7,8,9,9a-octahydro-3H-cycloocta[b]furan-2-one (CID 101268349) is (9aR)-3a,4,5,6,7,8,9,9a-octahydro-3H-cycloocta[b]furan-2-one.
What is the SMILES notation for (9aR)-3a,4,5,6,7,8,9,9a-octahydro-3H-cycloocta[b]furan-2-one?
The canonical SMILES for (9aR)-3a,4,5,6,7,8,9,9a-octahydro-3H-cycloocta[b]furan-2-one is O=C1CC2CCCCCC[C@H]2O1.
What is the InChIKey of (9aR)-3a,4,5,6,7,8,9,9a-octahydro-3H-cycloocta[b]furan-2-one?
The InChIKey is ZBRBEWHKLHIEOT-YGPZHTELSA-N. The full InChI is InChI=1S/C10H16O2/c11-10-7-8-5-3-1-2-4-6-9(8)12-10/h8-9H,1-7H2/t8?,9-/m1/s1.
What are the key properties of (9aR)-3a,4,5,6,7,8,9,9a-octahydro-3H-cycloocta[b]furan-2-one?
(9aR)-3a,4,5,6,7,8,9,9a-octahydro-3H-cycloocta[b]furan-2-one has a molecular weight of 168.24 g/mol, XLogP of 2.27, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9aR)-3a,4,5,6,7,8,9,9a-octahydro-3H-cycloocta[b]furan-2-one is sourced from PubChem (CID 101268349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).