[(1S,7aS)-7a-methyl-4-trimethylsilyl-1,2,3,5-tetrahydroinden-1-yl]oxy-tert-butyl-dimethylsilane

C19H36OSi2 — CID 102464285

IUPAC[(1S,7aS)-7a-methyl-4-trimethylsilyl-1,2,3,5-tetrahydroinden-1-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCC2=C([Si](C)(C)C)CC=C[C@@]21C
InChIInChI=1S/C19H36OSi2/c1-18(2,3)22(8,9)20-17-13-12-15-16(21(5,6)7)11-10-14-19(15,17)4/h10,14,17H,11-13H2,1-9H3/t17-,19-/m0/s1
InChIKeyKNLLKEPZJXNOHO-HKUYNNGSSA-N
MW336.67 g/mol
LogP6.31
Rot. Bonds3

About [(1S,7aS)-7a-methyl-4-trimethylsilyl-1,2,3,5-tetrahydroinden-1-yl]oxy-tert-butyl-dimethylsilane

[(1S,7aS)-7a-methyl-4-trimethylsilyl-1,2,3,5-tetrahydroinden-1-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 102464285) has the molecular formula C19H36OSi2 and a molecular weight of 336.67 g/mol. Its IUPAC name is [(1S,7aS)-7a-methyl-4-trimethylsilyl-1,2,3,5-tetrahydroinden-1-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1S,7aS)-7a-methyl-4-trimethylsilyl-1,2,3,5-tetrahydroinden-1-yl]oxy-tert-butyl-dimethylsilane
PubChem CID102464285
Molecular FormulaC19H36OSi2
Molecular Weight336.67 g/mol
Exact Mass336.23
IUPAC Name[(1S,7aS)-7a-methyl-4-trimethylsilyl-1,2,3,5-tetrahydroinden-1-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCC2=C([Si](C)(C)C)CC=C[C@@]21C
InChIInChI=1S/C19H36OSi2/c1-18(2,3)22(8,9)20-17-13-12-15-16(21(5,6)7)11-10-14-19(15,17)4/h10,14,17H,11-13H2,1-9H3/t17-,19-/m0/s1
InChIKeyKNLLKEPZJXNOHO-HKUYNNGSSA-N
XLogP6.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.67
LogP ≤ 56.31
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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Related Compounds

tert-butyl-[(5Z)-5-ethylidene-2,2-dimethyl-4-methylidenecyclopentyl]oxy-dimethylsilane
CID 11832363
tert-butyl-[(1S,2S)-2-ethenyl-2-methyl-4-trimethylsilyloxycyclohex-3-en-1-yl]oxy-dimethylsilane
CID 14951420
[(1R,3aE,6Z,9aR)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-1,3,5,8,9,9a-hexahydrocyclopenta[8]annulen-4-yl]-trimethylsilane
CID 135031663
[(1E)-1-[(2R,3R)-2-but-3-enyl-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylcyclopentylidene]but-3-enyl]-trimethylsilane
CID 135031986
tert-butyl-[(5E)-5-ethylidene-2,2-dimethyl-4-methylidenecyclopentyl]oxy-dimethylsilane
CID 101111974
tert-butyl-[[(1Z)-1-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-ylidene]-7a-methyl-3,5-dihydro-2H-inden-4-yl]methoxy]-dimethylsilane
CID 139968514
(7a-Methyl-1,2-dihydroinden-1-yl)oxy-tert-butyl-dimethylsilane
CID 145807812
Tert-butyl-dimethyl-spiro[4.5]dec-7-en-10-yloxysilane
CID 173885795
(2-Methyl-3-pentylidenecyclopentyl)oxy-tri(propan-2-yl)silane
CID 10791527
tert-butyl-[(4Z)-4-ethylidene-2,2-dimethyl-5-methylidenecyclopentyl]oxy-dimethylsilane
CID 11300113
tert-butyl-[(1R,6S)-6-ethenyl-6-methyl-4-trimethylsilyloxycyclohex-3-en-1-yl]oxy-dimethylsilane
CID 53253587
Tert-butyl-(5-ethylidene-2,2-dimethyl-4-methylidenecyclopentyl)oxy-dimethylsilane
CID 57372543

Frequently Asked Questions

What is the IUPAC name of [(1S,7aS)-7a-methyl-4-trimethylsilyl-1,2,3,5-tetrahydroinden-1-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(1S,7aS)-7a-methyl-4-trimethylsilyl-1,2,3,5-tetrahydroinden-1-yl]oxy-tert-butyl-dimethylsilane (CID 102464285) is [(1S,7aS)-7a-methyl-4-trimethylsilyl-1,2,3,5-tetrahydroinden-1-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1S,7aS)-7a-methyl-4-trimethylsilyl-1,2,3,5-tetrahydroinden-1-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(1S,7aS)-7a-methyl-4-trimethylsilyl-1,2,3,5-tetrahydroinden-1-yl]oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@H]1CCC2=C([Si](C)(C)C)CC=C[C@@]21C.
What is the InChIKey of [(1S,7aS)-7a-methyl-4-trimethylsilyl-1,2,3,5-tetrahydroinden-1-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is KNLLKEPZJXNOHO-HKUYNNGSSA-N. The full InChI is InChI=1S/C19H36OSi2/c1-18(2,3)22(8,9)20-17-13-12-15-16(21(5,6)7)11-10-14-19(15,17)4/h10,14,17H,11-13H2,1-9H3/t17-,19-/m0/s1.
What are the key properties of [(1S,7aS)-7a-methyl-4-trimethylsilyl-1,2,3,5-tetrahydroinden-1-yl]oxy-tert-butyl-dimethylsilane?
[(1S,7aS)-7a-methyl-4-trimethylsilyl-1,2,3,5-tetrahydroinden-1-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 336.67 g/mol, XLogP of 6.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,7aS)-7a-methyl-4-trimethylsilyl-1,2,3,5-tetrahydroinden-1-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 102464285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).