[(2aR,3R)-2a-methyl-3-propan-2-yl-1,1a,2,3,4,5-hexahydrocyclopropa[f]inden-6a-yl]oxy-trimethylsilane

C17H30OSi — CID 11265928

IUPAC[(2aR,3R)-2a-methyl-3-propan-2-yl-1,1a,2,3,4,5-hexahydrocyclopropa[f]inden-6a-yl]oxy-trimethylsilane
SMILESCC(C)[C@H]1CCC2=CC3(O[Si](C)(C)C)CC3C[C@@]21C
InChIInChI=1S/C17H30OSi/c1-12(2)15-8-7-13-10-17(18-19(4,5)6)11-14(17)9-16(13,15)3/h10,12,14-15H,7-9,11H2,1-6H3/t14?,15-,16+,17?/m1/s1
InChIKeySUKMXLUZRJMXSW-GMRIPVOYSA-N
MW278.51 g/mol
LogP5.00
Rot. Bonds3

About [(2aR,3R)-2a-methyl-3-propan-2-yl-1,1a,2,3,4,5-hexahydrocyclopropa[f]inden-6a-yl]oxy-trimethylsilane

[(2aR,3R)-2a-methyl-3-propan-2-yl-1,1a,2,3,4,5-hexahydrocyclopropa[f]inden-6a-yl]oxy-trimethylsilane (PubChem CID 11265928) has the molecular formula C17H30OSi and a molecular weight of 278.51 g/mol. Its IUPAC name is [(2aR,3R)-2a-methyl-3-propan-2-yl-1,1a,2,3,4,5-hexahydrocyclopropa[f]inden-6a-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(2aR,3R)-2a-methyl-3-propan-2-yl-1,1a,2,3,4,5-hexahydrocyclopropa[f]inden-6a-yl]oxy-trimethylsilane
PubChem CID11265928
Molecular FormulaC17H30OSi
Molecular Weight278.51 g/mol
Exact Mass278.21
IUPAC Name[(2aR,3R)-2a-methyl-3-propan-2-yl-1,1a,2,3,4,5-hexahydrocyclopropa[f]inden-6a-yl]oxy-trimethylsilane
SMILESCC(C)[C@H]1CCC2=CC3(O[Si](C)(C)C)CC3C[C@@]21C
InChIInChI=1S/C17H30OSi/c1-12(2)15-8-7-13-10-17(18-19(4,5)6)11-14(17)9-16(13,15)3/h10,12,14-15H,7-9,11H2,1-6H3/t14?,15-,16+,17?/m1/s1
InChIKeySUKMXLUZRJMXSW-GMRIPVOYSA-N
XLogP5.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.51
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 [(2aR,3R)-2a-methyl-3-propan-2-yl-1,1a,2,3,4,5-hexahydrocyclopropa[f]inden-6a-yl]oxy-trimethylsilane?
The IUPAC name of [(2aR,3R)-2a-methyl-3-propan-2-yl-1,1a,2,3,4,5-hexahydrocyclopropa[f]inden-6a-yl]oxy-trimethylsilane (CID 11265928) is [(2aR,3R)-2a-methyl-3-propan-2-yl-1,1a,2,3,4,5-hexahydrocyclopropa[f]inden-6a-yl]oxy-trimethylsilane.
What is the SMILES notation for [(2aR,3R)-2a-methyl-3-propan-2-yl-1,1a,2,3,4,5-hexahydrocyclopropa[f]inden-6a-yl]oxy-trimethylsilane?
The canonical SMILES for [(2aR,3R)-2a-methyl-3-propan-2-yl-1,1a,2,3,4,5-hexahydrocyclopropa[f]inden-6a-yl]oxy-trimethylsilane is CC(C)[C@H]1CCC2=CC3(O[Si](C)(C)C)CC3C[C@@]21C.
What is the InChIKey of [(2aR,3R)-2a-methyl-3-propan-2-yl-1,1a,2,3,4,5-hexahydrocyclopropa[f]inden-6a-yl]oxy-trimethylsilane?
The InChIKey is SUKMXLUZRJMXSW-GMRIPVOYSA-N. The full InChI is InChI=1S/C17H30OSi/c1-12(2)15-8-7-13-10-17(18-19(4,5)6)11-14(17)9-16(13,15)3/h10,12,14-15H,7-9,11H2,1-6H3/t14?,15-,16+,17?/m1/s1.
What are the key properties of [(2aR,3R)-2a-methyl-3-propan-2-yl-1,1a,2,3,4,5-hexahydrocyclopropa[f]inden-6a-yl]oxy-trimethylsilane?
[(2aR,3R)-2a-methyl-3-propan-2-yl-1,1a,2,3,4,5-hexahydrocyclopropa[f]inden-6a-yl]oxy-trimethylsilane has a molecular weight of 278.51 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2aR,3R)-2a-methyl-3-propan-2-yl-1,1a,2,3,4,5-hexahydrocyclopropa[f]inden-6a-yl]oxy-trimethylsilane is sourced from PubChem (CID 11265928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).