(2Z,6Z)-5-(2,3-dimethylbutan-2-ylsilyloxymethyl)-8-propan-2-ylcyclodeca-2,6-dien-1-one

C20H36O2Si — CID 173406970

IUPAC(2Z,6Z)-5-(2,3-dimethylbutan-2-ylsilyloxymethyl)-8-propan-2-ylcyclodeca-2,6-dien-1-one
SMILESCC(C)C1/C=C\C(CO[SiH2]C(C)(C)C(C)C)C/C=C\C(=O)CC1
InChIInChI=1S/C20H36O2Si/c1-15(2)18-11-10-17(8-7-9-19(21)13-12-18)14-22-23-20(5,6)16(3)4/h7,9-11,15-18H,8,12-14,23H2,1-6H3/b9-7-,11-10-
InChIKeyGGBWUCKSLVGGSA-MNAJIYKBSA-N
MW336.59 g/mol
LogP4.70
Rot. Bonds6

About (2Z,6Z)-5-(2,3-dimethylbutan-2-ylsilyloxymethyl)-8-propan-2-ylcyclodeca-2,6-dien-1-one

(2Z,6Z)-5-(2,3-dimethylbutan-2-ylsilyloxymethyl)-8-propan-2-ylcyclodeca-2,6-dien-1-one (PubChem CID 173406970) has the molecular formula C20H36O2Si and a molecular weight of 336.59 g/mol. Its IUPAC name is (2Z,6Z)-5-(2,3-dimethylbutan-2-ylsilyloxymethyl)-8-propan-2-ylcyclodeca-2,6-dien-1-one.

Molecular Properties

Compound Name(2Z,6Z)-5-(2,3-dimethylbutan-2-ylsilyloxymethyl)-8-propan-2-ylcyclodeca-2,6-dien-1-one
PubChem CID173406970
Molecular FormulaC20H36O2Si
Molecular Weight336.59 g/mol
Exact Mass336.25
IUPAC Name(2Z,6Z)-5-(2,3-dimethylbutan-2-ylsilyloxymethyl)-8-propan-2-ylcyclodeca-2,6-dien-1-one
SMILESCC(C)C1/C=C\C(CO[SiH2]C(C)(C)C(C)C)C/C=C\C(=O)CC1
InChIInChI=1S/C20H36O2Si/c1-15(2)18-11-10-17(8-7-9-19(21)13-12-18)14-22-23-20(5,6)16(3)4/h7,9-11,15-18H,8,12-14,23H2,1-6H3/b9-7-,11-10-
InChIKeyGGBWUCKSLVGGSA-MNAJIYKBSA-N
XLogP4.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.59
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (2Z,6Z)-5-(2,3-dimethylbutan-2-ylsilyloxymethyl)-8-propan-2-ylcyclodeca-2,6-dien-1-one?
The IUPAC name of (2Z,6Z)-5-(2,3-dimethylbutan-2-ylsilyloxymethyl)-8-propan-2-ylcyclodeca-2,6-dien-1-one (CID 173406970) is (2Z,6Z)-5-(2,3-dimethylbutan-2-ylsilyloxymethyl)-8-propan-2-ylcyclodeca-2,6-dien-1-one.
What is the SMILES notation for (2Z,6Z)-5-(2,3-dimethylbutan-2-ylsilyloxymethyl)-8-propan-2-ylcyclodeca-2,6-dien-1-one?
The canonical SMILES for (2Z,6Z)-5-(2,3-dimethylbutan-2-ylsilyloxymethyl)-8-propan-2-ylcyclodeca-2,6-dien-1-one is CC(C)C1/C=C\C(CO[SiH2]C(C)(C)C(C)C)C/C=C\C(=O)CC1.
What is the InChIKey of (2Z,6Z)-5-(2,3-dimethylbutan-2-ylsilyloxymethyl)-8-propan-2-ylcyclodeca-2,6-dien-1-one?
The InChIKey is GGBWUCKSLVGGSA-MNAJIYKBSA-N. The full InChI is InChI=1S/C20H36O2Si/c1-15(2)18-11-10-17(8-7-9-19(21)13-12-18)14-22-23-20(5,6)16(3)4/h7,9-11,15-18H,8,12-14,23H2,1-6H3/b9-7-,11-10-.
What are the key properties of (2Z,6Z)-5-(2,3-dimethylbutan-2-ylsilyloxymethyl)-8-propan-2-ylcyclodeca-2,6-dien-1-one?
(2Z,6Z)-5-(2,3-dimethylbutan-2-ylsilyloxymethyl)-8-propan-2-ylcyclodeca-2,6-dien-1-one has a molecular weight of 336.59 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,6Z)-5-(2,3-dimethylbutan-2-ylsilyloxymethyl)-8-propan-2-ylcyclodeca-2,6-dien-1-one is sourced from PubChem (CID 173406970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).