(1E,3R,10R,11S,14R)-14-(methoxymethyl)-3,10-dimethyl-6-propan-2-yl-14-trimethylsilyloxytricyclo[9.3.0.03,7]tetradeca-1,6-dien-9-one

C24H40O3Si — CID 154721621

IUPAC(1E,3R,10R,11S,14R)-14-(methoxymethyl)-3,10-dimethyl-6-propan-2-yl-14-trimethylsilyloxytricyclo[9.3.0.03,7]tetradeca-1,6-dien-9-one
SMILESCOC[C@@]1(O[Si](C)(C)C)CC[C@@H]2/C1=C\[C@@]1(C)CCC(C(C)C)=C1CC(=O)[C@@H]2C
InChIInChI=1S/C24H40O3Si/c1-16(2)18-9-11-23(4)14-21-19(17(3)22(25)13-20(18)23)10-12-24(21,15-26-5)27-28(6,7)8/h14,16-17,19H,9-13,15H2,1-8H3/b21-14+/t17-,19+,23-,24+/m1/s1
InChIKeyOCDWLEFXFQPHDT-YVFKSDBBSA-N
MW404.67 g/mol
LogP5.92
Rot. Bonds5

About (1E,3R,10R,11S,14R)-14-(methoxymethyl)-3,10-dimethyl-6-propan-2-yl-14-trimethylsilyloxytricyclo[9.3.0.03,7]tetradeca-1,6-dien-9-one

(1E,3R,10R,11S,14R)-14-(methoxymethyl)-3,10-dimethyl-6-propan-2-yl-14-trimethylsilyloxytricyclo[9.3.0.03,7]tetradeca-1,6-dien-9-one (PubChem CID 154721621) has the molecular formula C24H40O3Si and a molecular weight of 404.67 g/mol. Its IUPAC name is (1E,3R,10R,11S,14R)-14-(methoxymethyl)-3,10-dimethyl-6-propan-2-yl-14-trimethylsilyloxytricyclo[9.3.0.03,7]tetradeca-1,6-dien-9-one.

Molecular Properties

Compound Name(1E,3R,10R,11S,14R)-14-(methoxymethyl)-3,10-dimethyl-6-propan-2-yl-14-trimethylsilyloxytricyclo[9.3.0.03,7]tetradeca-1,6-dien-9-one
PubChem CID154721621
Molecular FormulaC24H40O3Si
Molecular Weight404.67 g/mol
Exact Mass404.27
IUPAC Name(1E,3R,10R,11S,14R)-14-(methoxymethyl)-3,10-dimethyl-6-propan-2-yl-14-trimethylsilyloxytricyclo[9.3.0.03,7]tetradeca-1,6-dien-9-one
SMILESCOC[C@@]1(O[Si](C)(C)C)CC[C@@H]2/C1=C\[C@@]1(C)CCC(C(C)C)=C1CC(=O)[C@@H]2C
InChIInChI=1S/C24H40O3Si/c1-16(2)18-9-11-23(4)14-21-19(17(3)22(25)13-20(18)23)10-12-24(21,15-26-5)27-28(6,7)8/h14,16-17,19H,9-13,15H2,1-8H3/b21-14+/t17-,19+,23-,24+/m1/s1
InChIKeyOCDWLEFXFQPHDT-YVFKSDBBSA-N
XLogP5.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.67
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E,3R,10R,11S,14R)-14-(methoxymethyl)-3,10-dimethyl-6-propan-2-yl-14-trimethylsilyloxytricyclo[9.3.0.03,7]tetradeca-1,6-dien-9-one?
The IUPAC name of (1E,3R,10R,11S,14R)-14-(methoxymethyl)-3,10-dimethyl-6-propan-2-yl-14-trimethylsilyloxytricyclo[9.3.0.03,7]tetradeca-1,6-dien-9-one (CID 154721621) is (1E,3R,10R,11S,14R)-14-(methoxymethyl)-3,10-dimethyl-6-propan-2-yl-14-trimethylsilyloxytricyclo[9.3.0.03,7]tetradeca-1,6-dien-9-one.
What is the SMILES notation for (1E,3R,10R,11S,14R)-14-(methoxymethyl)-3,10-dimethyl-6-propan-2-yl-14-trimethylsilyloxytricyclo[9.3.0.03,7]tetradeca-1,6-dien-9-one?
The canonical SMILES for (1E,3R,10R,11S,14R)-14-(methoxymethyl)-3,10-dimethyl-6-propan-2-yl-14-trimethylsilyloxytricyclo[9.3.0.03,7]tetradeca-1,6-dien-9-one is COC[C@@]1(O[Si](C)(C)C)CC[C@@H]2/C1=C\[C@@]1(C)CCC(C(C)C)=C1CC(=O)[C@@H]2C.
What is the InChIKey of (1E,3R,10R,11S,14R)-14-(methoxymethyl)-3,10-dimethyl-6-propan-2-yl-14-trimethylsilyloxytricyclo[9.3.0.03,7]tetradeca-1,6-dien-9-one?
The InChIKey is OCDWLEFXFQPHDT-YVFKSDBBSA-N. The full InChI is InChI=1S/C24H40O3Si/c1-16(2)18-9-11-23(4)14-21-19(17(3)22(25)13-20(18)23)10-12-24(21,15-26-5)27-28(6,7)8/h14,16-17,19H,9-13,15H2,1-8H3/b21-14+/t17-,19+,23-,24+/m1/s1.
What are the key properties of (1E,3R,10R,11S,14R)-14-(methoxymethyl)-3,10-dimethyl-6-propan-2-yl-14-trimethylsilyloxytricyclo[9.3.0.03,7]tetradeca-1,6-dien-9-one?
(1E,3R,10R,11S,14R)-14-(methoxymethyl)-3,10-dimethyl-6-propan-2-yl-14-trimethylsilyloxytricyclo[9.3.0.03,7]tetradeca-1,6-dien-9-one has a molecular weight of 404.67 g/mol, XLogP of 5.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3R,10R,11S,14R)-14-(methoxymethyl)-3,10-dimethyl-6-propan-2-yl-14-trimethylsilyloxytricyclo[9.3.0.03,7]tetradeca-1,6-dien-9-one is sourced from PubChem (CID 154721621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).