samarium;trimethyl-[3,3,4,5-tetramethyl-2-(oxolan-2-yl)cyclopenta-1,4-dien-1-yl]silane

C16H28OSiSm — CID 87933789

IUPACsamarium;trimethyl-[3,3,4,5-tetramethyl-2-(oxolan-2-yl)cyclopenta-1,4-dien-1-yl]silane
SMILESCC1=C(C)C(C)(C)C(C2CCCO2)=C1[Si](C)(C)C.[Sm]
InChIInChI=1S/C16H28OSi.Sm/c1-11-12(2)16(3,4)14(13-9-8-10-17-13)15(11)18(5,6)7;/h13H,8-10H2,1-7H3;
InChIKeyMLTKWIJPKYDDQV-UHFFFAOYSA-N
MW414.85 g/mol
LogP4.72
Rot. Bonds2

About samarium;trimethyl-[3,3,4,5-tetramethyl-2-(oxolan-2-yl)cyclopenta-1,4-dien-1-yl]silane

samarium;trimethyl-[3,3,4,5-tetramethyl-2-(oxolan-2-yl)cyclopenta-1,4-dien-1-yl]silane (PubChem CID 87933789) has the molecular formula C16H28OSiSm and a molecular weight of 414.85 g/mol. Its IUPAC name is samarium;trimethyl-[3,3,4,5-tetramethyl-2-(oxolan-2-yl)cyclopenta-1,4-dien-1-yl]silane.

Molecular Properties

Compound Namesamarium;trimethyl-[3,3,4,5-tetramethyl-2-(oxolan-2-yl)cyclopenta-1,4-dien-1-yl]silane
PubChem CID87933789
Molecular FormulaC16H28OSiSm
Molecular Weight414.85 g/mol
Exact Mass416.11
IUPAC Namesamarium;trimethyl-[3,3,4,5-tetramethyl-2-(oxolan-2-yl)cyclopenta-1,4-dien-1-yl]silane
SMILESCC1=C(C)C(C)(C)C(C2CCCO2)=C1[Si](C)(C)C.[Sm]
InChIInChI=1S/C16H28OSi.Sm/c1-11-12(2)16(3,4)14(13-9-8-10-17-13)15(11)18(5,6)7;/h13H,8-10H2,1-7H3;
InChIKeyMLTKWIJPKYDDQV-UHFFFAOYSA-N
XLogP4.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.85
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Trimethyl-[3,3,4,5-tetramethyl-2-[2-(3,4,5,5-tetramethyl-2-trimethylsilylcyclopenta-1,3-dien-1-yl)oxolan-2-yl]cyclopenta-1,4-dien-1-yl]silane
CID 22065612
2,2-Bis(2-butyl-3,4,5,5-tetramethylcyclopenta-1,3-dien-1-yl)oxolane;samarium
CID 87933258
Samarium;trimethyl-[3,3,4,5-tetramethyl-2-[2-(3,4,5,5-tetramethyl-2-trimethylsilylcyclopenta-1,3-dien-1-yl)oxolan-2-yl]cyclopenta-1,4-dien-1-yl]silane
CID 87933292
Trimethyl-[3,3,4,5-tetramethyl-2-(oxolan-2-yl)cyclopenta-1,4-dien-1-yl]silane
CID 87933790
2-Methyl-2-(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane;samarium
CID 174382752
2-Methyl-2-(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane
CID 174382753
2,2-Bis(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)oxolane;samarium
CID 175326473

Frequently Asked Questions

What is the IUPAC name of samarium;trimethyl-[3,3,4,5-tetramethyl-2-(oxolan-2-yl)cyclopenta-1,4-dien-1-yl]silane?
The IUPAC name of samarium;trimethyl-[3,3,4,5-tetramethyl-2-(oxolan-2-yl)cyclopenta-1,4-dien-1-yl]silane (CID 87933789) is samarium;trimethyl-[3,3,4,5-tetramethyl-2-(oxolan-2-yl)cyclopenta-1,4-dien-1-yl]silane.
What is the SMILES notation for samarium;trimethyl-[3,3,4,5-tetramethyl-2-(oxolan-2-yl)cyclopenta-1,4-dien-1-yl]silane?
The canonical SMILES for samarium;trimethyl-[3,3,4,5-tetramethyl-2-(oxolan-2-yl)cyclopenta-1,4-dien-1-yl]silane is CC1=C(C)C(C)(C)C(C2CCCO2)=C1[Si](C)(C)C.[Sm].
What is the InChIKey of samarium;trimethyl-[3,3,4,5-tetramethyl-2-(oxolan-2-yl)cyclopenta-1,4-dien-1-yl]silane?
The InChIKey is MLTKWIJPKYDDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28OSi.Sm/c1-11-12(2)16(3,4)14(13-9-8-10-17-13)15(11)18(5,6)7;/h13H,8-10H2,1-7H3;.
What are the key properties of samarium;trimethyl-[3,3,4,5-tetramethyl-2-(oxolan-2-yl)cyclopenta-1,4-dien-1-yl]silane?
samarium;trimethyl-[3,3,4,5-tetramethyl-2-(oxolan-2-yl)cyclopenta-1,4-dien-1-yl]silane has a molecular weight of 414.85 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for samarium;trimethyl-[3,3,4,5-tetramethyl-2-(oxolan-2-yl)cyclopenta-1,4-dien-1-yl]silane is sourced from PubChem (CID 87933789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).