3a,4,5,8,9,10,11,11a-octahydro-3H-cyclodeca[b]furan-2-one

C12H18O2 — CID 123907638

IUPAC3a,4,5,8,9,10,11,11a-octahydro-3H-cyclodeca[b]furan-2-one
SMILESO=C1CC2CCC=CCCCCC2O1
InChIInChI=1S/C12H18O2/c13-12-9-10-7-5-3-1-2-4-6-8-11(10)14-12/h1,3,10-11H,2,4-9H2
InChIKeyDKEIYVLEEJZSHO-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.83
Rot. Bonds

About 3a,4,5,8,9,10,11,11a-octahydro-3H-cyclodeca[b]furan-2-one

3a,4,5,8,9,10,11,11a-octahydro-3H-cyclodeca[b]furan-2-one (PubChem CID 123907638) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 3a,4,5,8,9,10,11,11a-octahydro-3H-cyclodeca[b]furan-2-one.

Molecular Properties

Compound Name3a,4,5,8,9,10,11,11a-octahydro-3H-cyclodeca[b]furan-2-one
PubChem CID123907638
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name3a,4,5,8,9,10,11,11a-octahydro-3H-cyclodeca[b]furan-2-one
SMILESO=C1CC2CCC=CCCCCC2O1
InChIInChI=1S/C12H18O2/c13-12-9-10-7-5-3-1-2-4-6-8-11(10)14-12/h1,3,10-11H,2,4-9H2
InChIKeyDKEIYVLEEJZSHO-UHFFFAOYSA-N
XLogP2.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3a,4,5,8,9,10,11,11a-octahydro-3H-cyclodeca[b]furan-2-one with MolForge

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Related Compounds

7-Decen-4-olide, (Z)-
CID 6019677
4-Hydroxy-4-methyl decenoic acid gamma lactone, (7Z)-
CID 11332852
Chaulmoogric acid ethyl ester
CID 23615635
Cnidilide
CID 160710
2,5-Furandione, dihydro-3-(tetrapropenyl)-
CID 6438029
Butyloctyl Oleate
CID 71587487
(3S,3aS,6E,10E,11aS)-3,6,10-trimethyl-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2-one
CID 6475829
Ethyl 11-(cyclopent-2-en-1-yl)undecanoate
CID 19082
2(3H)-Furanone, 5-(3-hexenyl)dihydro-5-methyl-, (E)-
CID 6436439
Oxacyclopentadec-10-en-2-one, 13-methyl-
CID 56842685
11beta,13-Dihydroxanthatin (10)
CID 122182542
(3R,3aR,7S,8aR)-6-(3-hydroxybutyl)-3,7-dimethyl-3,3a,4,7,8,8a-hexahydrocyclohepta[b]furan-2-one
CID 122182541

Frequently Asked Questions

What is the IUPAC name of 3a,4,5,8,9,10,11,11a-octahydro-3H-cyclodeca[b]furan-2-one?
The IUPAC name of 3a,4,5,8,9,10,11,11a-octahydro-3H-cyclodeca[b]furan-2-one (CID 123907638) is 3a,4,5,8,9,10,11,11a-octahydro-3H-cyclodeca[b]furan-2-one.
What is the SMILES notation for 3a,4,5,8,9,10,11,11a-octahydro-3H-cyclodeca[b]furan-2-one?
The canonical SMILES for 3a,4,5,8,9,10,11,11a-octahydro-3H-cyclodeca[b]furan-2-one is O=C1CC2CCC=CCCCCC2O1.
What is the InChIKey of 3a,4,5,8,9,10,11,11a-octahydro-3H-cyclodeca[b]furan-2-one?
The InChIKey is DKEIYVLEEJZSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c13-12-9-10-7-5-3-1-2-4-6-8-11(10)14-12/h1,3,10-11H,2,4-9H2.
What are the key properties of 3a,4,5,8,9,10,11,11a-octahydro-3H-cyclodeca[b]furan-2-one?
3a,4,5,8,9,10,11,11a-octahydro-3H-cyclodeca[b]furan-2-one has a molecular weight of 194.27 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,4,5,8,9,10,11,11a-octahydro-3H-cyclodeca[b]furan-2-one is sourced from PubChem (CID 123907638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).