[(7aS)-7a-methyl-2-trimethylsilyl-6,7-dihydro-5H-cyclopenta[b]pyran-3-yl]-trimethylsilane

C15H28OSi2 — CID 14736652

IUPAC[(7aS)-7a-methyl-2-trimethylsilyl-6,7-dihydro-5H-cyclopenta[b]pyran-3-yl]-trimethylsilane
SMILESC[C@]12CCCC1=CC([Si](C)(C)C)=C([Si](C)(C)C)O2
InChIInChI=1S/C15H28OSi2/c1-15-10-8-9-12(15)11-13(17(2,3)4)14(16-15)18(5,6)7/h11H,8-10H2,1-7H3/t15-/m0/s1
InChIKeyLBEHFBNEWHCRKG-HNNXBMFYSA-N
MW280.56 g/mol
LogP4.89
Rot. Bonds2

About [(7aS)-7a-methyl-2-trimethylsilyl-6,7-dihydro-5H-cyclopenta[b]pyran-3-yl]-trimethylsilane

[(7aS)-7a-methyl-2-trimethylsilyl-6,7-dihydro-5H-cyclopenta[b]pyran-3-yl]-trimethylsilane (PubChem CID 14736652) has the molecular formula C15H28OSi2 and a molecular weight of 280.56 g/mol. Its IUPAC name is [(7aS)-7a-methyl-2-trimethylsilyl-6,7-dihydro-5H-cyclopenta[b]pyran-3-yl]-trimethylsilane.

Molecular Properties

Compound Name[(7aS)-7a-methyl-2-trimethylsilyl-6,7-dihydro-5H-cyclopenta[b]pyran-3-yl]-trimethylsilane
PubChem CID14736652
Molecular FormulaC15H28OSi2
Molecular Weight280.56 g/mol
Exact Mass280.17
IUPAC Name[(7aS)-7a-methyl-2-trimethylsilyl-6,7-dihydro-5H-cyclopenta[b]pyran-3-yl]-trimethylsilane
SMILESC[C@]12CCCC1=CC([Si](C)(C)C)=C([Si](C)(C)C)O2
InChIInChI=1S/C15H28OSi2/c1-15-10-8-9-12(15)11-13(17(2,3)4)14(16-15)18(5,6)7/h11H,8-10H2,1-7H3/t15-/m0/s1
InChIKeyLBEHFBNEWHCRKG-HNNXBMFYSA-N
XLogP4.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.56
LogP ≤ 54.89
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-(2-trimethylsilyl-5,6,7,7a-tetrahydrocyclopenta[b]pyran-3-yl)silane
CID 134899405
CID 134899408
CID 134899408
CID 135005616
CID 135005616
(7a-methyl-2-trimethylsilyl-6,7-dihydro-5H-cyclopenta[b]pyran-3-yl)-trimethylsilane
CID 14736650

Frequently Asked Questions

What is the IUPAC name of [(7aS)-7a-methyl-2-trimethylsilyl-6,7-dihydro-5H-cyclopenta[b]pyran-3-yl]-trimethylsilane?
The IUPAC name of [(7aS)-7a-methyl-2-trimethylsilyl-6,7-dihydro-5H-cyclopenta[b]pyran-3-yl]-trimethylsilane (CID 14736652) is [(7aS)-7a-methyl-2-trimethylsilyl-6,7-dihydro-5H-cyclopenta[b]pyran-3-yl]-trimethylsilane.
What is the SMILES notation for [(7aS)-7a-methyl-2-trimethylsilyl-6,7-dihydro-5H-cyclopenta[b]pyran-3-yl]-trimethylsilane?
The canonical SMILES for [(7aS)-7a-methyl-2-trimethylsilyl-6,7-dihydro-5H-cyclopenta[b]pyran-3-yl]-trimethylsilane is C[C@]12CCCC1=CC([Si](C)(C)C)=C([Si](C)(C)C)O2.
What is the InChIKey of [(7aS)-7a-methyl-2-trimethylsilyl-6,7-dihydro-5H-cyclopenta[b]pyran-3-yl]-trimethylsilane?
The InChIKey is LBEHFBNEWHCRKG-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H28OSi2/c1-15-10-8-9-12(15)11-13(17(2,3)4)14(16-15)18(5,6)7/h11H,8-10H2,1-7H3/t15-/m0/s1.
What are the key properties of [(7aS)-7a-methyl-2-trimethylsilyl-6,7-dihydro-5H-cyclopenta[b]pyran-3-yl]-trimethylsilane?
[(7aS)-7a-methyl-2-trimethylsilyl-6,7-dihydro-5H-cyclopenta[b]pyran-3-yl]-trimethylsilane has a molecular weight of 280.56 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(7aS)-7a-methyl-2-trimethylsilyl-6,7-dihydro-5H-cyclopenta[b]pyran-3-yl]-trimethylsilane is sourced from PubChem (CID 14736652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).