8-methoxy-3,8,12-trimethyl-4,14-dioxatricyclo[9.3.0.03,5]tetradec-11-en-13-one

C16H24O4 — CID 162925443

IUPAC8-methoxy-3,8,12-trimethyl-4,14-dioxatricyclo[9.3.0.03,5]tetradec-11-en-13-one
SMILESCOC1(C)CCC2=C(C)C(=O)OC2CC2(C)OC2CC1
InChIInChI=1S/C16H24O4/c1-10-11-5-7-15(2,18-4)8-6-13-16(3,20-13)9-12(11)19-14(10)17/h12-13H,5-9H2,1-4H3
InChIKeyFULCSTKSEHDKSP-UHFFFAOYSA-N
MW280.36 g/mol
LogP2.76
Rot. Bonds1

About 8-methoxy-3,8,12-trimethyl-4,14-dioxatricyclo[9.3.0.03,5]tetradec-11-en-13-one

8-methoxy-3,8,12-trimethyl-4,14-dioxatricyclo[9.3.0.03,5]tetradec-11-en-13-one (PubChem CID 162925443) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is 8-methoxy-3,8,12-trimethyl-4,14-dioxatricyclo[9.3.0.03,5]tetradec-11-en-13-one.

Molecular Properties

Compound Name8-methoxy-3,8,12-trimethyl-4,14-dioxatricyclo[9.3.0.03,5]tetradec-11-en-13-one
PubChem CID162925443
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Name8-methoxy-3,8,12-trimethyl-4,14-dioxatricyclo[9.3.0.03,5]tetradec-11-en-13-one
SMILESCOC1(C)CCC2=C(C)C(=O)OC2CC2(C)OC2CC1
InChIInChI=1S/C16H24O4/c1-10-11-5-7-15(2,18-4)8-6-13-16(3,20-13)9-12(11)19-14(10)17/h12-13H,5-9H2,1-4H3
InChIKeyFULCSTKSEHDKSP-UHFFFAOYSA-N
XLogP2.76
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 8-methoxy-3,8,12-trimethyl-4,14-dioxatricyclo[9.3.0.03,5]tetradec-11-en-13-one with MolForge

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Related Compounds

6-butan-2-yl-3,6-dimethyl-4,5,7,7a-tetrahydro-1-benzofuran-2-one
CID 146185914
6,9,10-trimethyl-4,14-dioxatetracyclo[7.5.0.01,13.03,7]tetradec-6-en-5-one
CID 73240820
(1S,2R,8R,10Z,14R,15R)-1,5,10,14-tetramethyl-7,18-dioxatetracyclo[13.2.1.02,14.04,8]octadeca-4,10-dien-6-one
CID 102010168
(4R,6R,9Z,11R,13E,15S)-11-hydroperoxy-4,9,13,18-tetramethyl-5,16-dioxatricyclo[13.3.0.04,6]octadeca-1(18),9,13-trien-17-one
CID 163112868
(4R,6R,9E,11R,13E,15S)-11-hydroperoxy-4,9,13,18-tetramethyl-5,16-dioxatricyclo[13.3.0.04,6]octadeca-1(18),9,13-trien-17-one
CID 163112867
(4aR,5R,6R,8aR,9aS)-6-hydroxy-3,5,8a-trimethyl-4,4a,5,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one
CID 10911943
(6R)-3,6-dimethyl-5,6,7,7a-tetrahydro-4H-1-benzofuran-2-one
CID 14734005
(1S,2E,6R,8R,11E)-3,8,12,16-tetramethyl-7,18-dioxatricyclo[13.3.0.06,8]octadeca-2,11,15-trien-17-one
CID 23425416
(1R,6S,8S)-3,8,12,16-tetramethyl-7,18-dioxatricyclo[13.3.0.06,8]octadeca-2,11,15-trien-17-one
CID 124928607
(1R,2S,9R,14R,15S)-2,15-dihydroxy-2,6,11,15-tetramethyl-8,18-dioxatricyclo[12.3.1.05,9]octadeca-5,10-dien-7-one
CID 162895650
(4aR,8S,8aR,9aS)-8-hydroxy-3,8a-dimethyl-5-methylidene-4a,6,7,8,9,9a-hexahydro-4H-benzo[f][1]benzofuran-2-one
CID 51692908
(4aR,8R,8aR,9aS)-8-hydroxy-3,8a-dimethyl-5-methylidene-4a,6,7,8,9,9a-hexahydro-4H-benzo[f][1]benzofuran-2-one
CID 51692910

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3,8,12-trimethyl-4,14-dioxatricyclo[9.3.0.03,5]tetradec-11-en-13-one?
The IUPAC name of 8-methoxy-3,8,12-trimethyl-4,14-dioxatricyclo[9.3.0.03,5]tetradec-11-en-13-one (CID 162925443) is 8-methoxy-3,8,12-trimethyl-4,14-dioxatricyclo[9.3.0.03,5]tetradec-11-en-13-one.
What is the SMILES notation for 8-methoxy-3,8,12-trimethyl-4,14-dioxatricyclo[9.3.0.03,5]tetradec-11-en-13-one?
The canonical SMILES for 8-methoxy-3,8,12-trimethyl-4,14-dioxatricyclo[9.3.0.03,5]tetradec-11-en-13-one is COC1(C)CCC2=C(C)C(=O)OC2CC2(C)OC2CC1.
What is the InChIKey of 8-methoxy-3,8,12-trimethyl-4,14-dioxatricyclo[9.3.0.03,5]tetradec-11-en-13-one?
The InChIKey is FULCSTKSEHDKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O4/c1-10-11-5-7-15(2,18-4)8-6-13-16(3,20-13)9-12(11)19-14(10)17/h12-13H,5-9H2,1-4H3.
What are the key properties of 8-methoxy-3,8,12-trimethyl-4,14-dioxatricyclo[9.3.0.03,5]tetradec-11-en-13-one?
8-methoxy-3,8,12-trimethyl-4,14-dioxatricyclo[9.3.0.03,5]tetradec-11-en-13-one has a molecular weight of 280.36 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3,8,12-trimethyl-4,14-dioxatricyclo[9.3.0.03,5]tetradec-11-en-13-one is sourced from PubChem (CID 162925443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).