[(5R,6R,8R)-8-methoxy-3,6,10-trimethyl-4-oxo-6,7,8,11-tetrahydro-5H-cyclodeca[b]furan-5-yl] acetate

C18H24O5 — CID 154792773

IUPAC[(5R,6R,8R)-8-methoxy-3,6,10-trimethyl-4-oxo-6,7,8,11-tetrahydro-5H-cyclodeca[b]furan-5-yl] acetate
SMILESCO[C@H]1C=C(C)Cc2occ(C)c2C(=O)[C@H](OC(C)=O)[C@H](C)C1
InChIInChI=1S/C18H24O5/c1-10-6-14(21-5)8-11(2)18(23-13(4)19)17(20)16-12(3)9-22-15(16)7-10/h6,9,11,14,18H,7-8H2,1-5H3/t11-,14+,18-/m1/s1
InChIKeyDCFSJMWNJKXQCQ-CDNVCLAFSA-N
MW320.39 g/mol
LogP3.25
Rot. Bonds2

About [(5R,6R,8R)-8-methoxy-3,6,10-trimethyl-4-oxo-6,7,8,11-tetrahydro-5H-cyclodeca[b]furan-5-yl] acetate

[(5R,6R,8R)-8-methoxy-3,6,10-trimethyl-4-oxo-6,7,8,11-tetrahydro-5H-cyclodeca[b]furan-5-yl] acetate (PubChem CID 154792773) has the molecular formula C18H24O5 and a molecular weight of 320.39 g/mol. Its IUPAC name is [(5R,6R,8R)-8-methoxy-3,6,10-trimethyl-4-oxo-6,7,8,11-tetrahydro-5H-cyclodeca[b]furan-5-yl] acetate.

Molecular Properties

Compound Name[(5R,6R,8R)-8-methoxy-3,6,10-trimethyl-4-oxo-6,7,8,11-tetrahydro-5H-cyclodeca[b]furan-5-yl] acetate
PubChem CID154792773
Molecular FormulaC18H24O5
Molecular Weight320.39 g/mol
Exact Mass320.16
IUPAC Name[(5R,6R,8R)-8-methoxy-3,6,10-trimethyl-4-oxo-6,7,8,11-tetrahydro-5H-cyclodeca[b]furan-5-yl] acetate
SMILESCO[C@H]1C=C(C)Cc2occ(C)c2C(=O)[C@H](OC(C)=O)[C@H](C)C1
InChIInChI=1S/C18H24O5/c1-10-6-14(21-5)8-11(2)18(23-13(4)19)17(20)16-12(3)9-22-15(16)7-10/h6,9,11,14,18H,7-8H2,1-5H3/t11-,14+,18-/m1/s1
InChIKeyDCFSJMWNJKXQCQ-CDNVCLAFSA-N
XLogP3.25
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(8-methoxy-3,6,10-trimethyl-4-oxo-6,7,8,11-tetrahydro-5H-cyclodeca[b]furan-5-yl) acetate
CID 85296271
[(5S,6S,8S,9Z)-8-methoxy-3,6,10-trimethyl-4-oxo-6,7,8,11-tetrahydro-5H-cyclodeca[b]furan-5-yl] acetate
CID 163189635
[(5E,9E)-3,6,10-trimethyl-4,7,8,11-tetrahydrocyclodeca[b]furan-8-yl] acetate
CID 91748793
[(1R,8Z,10R)-3,8-dimethyl-13-oxo-5,14-dioxatricyclo[10.2.1.02,6]pentadeca-2(6),3,8,12(15)-tetraen-10-yl] acetate
CID 162919802
(5E,8S,9Z)-8-methoxy-3,6,10-trimethyl-4,7,8,11-tetrahydrocyclodeca[b]furan
CID 163194266
(8Z)-7-methoxy-3,6-dimethyl-10-methylidene-5,6,7,11-tetrahydrocyclodeca[b]furan-4-one
CID 167995109
(1,5-dimethyl-8-methylidene-5,5a,6,7-tetrahydro-4H-benzo[e][1]benzofuran-6-yl) acetate
CID 90474185
(6-methoxy-2,4-dimethyloxan-3-yl) acetate
CID 20577444
[(4S,4aR,5R,6R,8aR)-6-hydroxy-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-4-yl] acetate
CID 162954825
6-(hydroxymethyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-4-one
CID 82409164
[(1R,2R,9S,10R,12R)-4,9-dimethyl-13-methylidene-6-oxatetracyclo[7.4.0.03,7.010,12]trideca-3(7),4-dien-2-yl] acetate
CID 163066062
(6aR,7S,9S,9aR)-7-methoxy-3,6,9-trimethyl-7,8,9,9a-tetrahydro-6aH-azuleno[4,5-b]furan-4-one
CID 162971953

Frequently Asked Questions

What is the IUPAC name of [(5R,6R,8R)-8-methoxy-3,6,10-trimethyl-4-oxo-6,7,8,11-tetrahydro-5H-cyclodeca[b]furan-5-yl] acetate?
The IUPAC name of [(5R,6R,8R)-8-methoxy-3,6,10-trimethyl-4-oxo-6,7,8,11-tetrahydro-5H-cyclodeca[b]furan-5-yl] acetate (CID 154792773) is [(5R,6R,8R)-8-methoxy-3,6,10-trimethyl-4-oxo-6,7,8,11-tetrahydro-5H-cyclodeca[b]furan-5-yl] acetate.
What is the SMILES notation for [(5R,6R,8R)-8-methoxy-3,6,10-trimethyl-4-oxo-6,7,8,11-tetrahydro-5H-cyclodeca[b]furan-5-yl] acetate?
The canonical SMILES for [(5R,6R,8R)-8-methoxy-3,6,10-trimethyl-4-oxo-6,7,8,11-tetrahydro-5H-cyclodeca[b]furan-5-yl] acetate is CO[C@H]1C=C(C)Cc2occ(C)c2C(=O)[C@H](OC(C)=O)[C@H](C)C1.
What is the InChIKey of [(5R,6R,8R)-8-methoxy-3,6,10-trimethyl-4-oxo-6,7,8,11-tetrahydro-5H-cyclodeca[b]furan-5-yl] acetate?
The InChIKey is DCFSJMWNJKXQCQ-CDNVCLAFSA-N. The full InChI is InChI=1S/C18H24O5/c1-10-6-14(21-5)8-11(2)18(23-13(4)19)17(20)16-12(3)9-22-15(16)7-10/h6,9,11,14,18H,7-8H2,1-5H3/t11-,14+,18-/m1/s1.
What are the key properties of [(5R,6R,8R)-8-methoxy-3,6,10-trimethyl-4-oxo-6,7,8,11-tetrahydro-5H-cyclodeca[b]furan-5-yl] acetate?
[(5R,6R,8R)-8-methoxy-3,6,10-trimethyl-4-oxo-6,7,8,11-tetrahydro-5H-cyclodeca[b]furan-5-yl] acetate has a molecular weight of 320.39 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R,6R,8R)-8-methoxy-3,6,10-trimethyl-4-oxo-6,7,8,11-tetrahydro-5H-cyclodeca[b]furan-5-yl] acetate is sourced from PubChem (CID 154792773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).