[(5R,7aR)-1,1,3,3,5-pentamethyl-7,7a-dihydro-6H-cyclopenta[d]oxasilin-5-yl]methoxy-tert-butyl-dimethylsilane

C19H38O2Si2 — CID 134836522

IUPAC[(5R,7aR)-1,1,3,3,5-pentamethyl-7,7a-dihydro-6H-cyclopenta[d]oxasilin-5-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC1(C)O[Si](C)(C)C=C2[C@H]1CC[C@@]2(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O2Si2/c1-17(2,3)23(9,10)20-14-19(6)12-11-15-16(19)13-22(7,8)21-18(15,4)5/h13,15H,11-12,14H2,1-10H3/t15-,19+/m1/s1
InChIKeyDXYXGJZIUVVSBX-BEFAXECRSA-N
MW354.68 g/mol
LogP5.90
Rot. Bonds3

About [(5R,7aR)-1,1,3,3,5-pentamethyl-7,7a-dihydro-6H-cyclopenta[d]oxasilin-5-yl]methoxy-tert-butyl-dimethylsilane

[(5R,7aR)-1,1,3,3,5-pentamethyl-7,7a-dihydro-6H-cyclopenta[d]oxasilin-5-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 134836522) has the molecular formula C19H38O2Si2 and a molecular weight of 354.68 g/mol. Its IUPAC name is [(5R,7aR)-1,1,3,3,5-pentamethyl-7,7a-dihydro-6H-cyclopenta[d]oxasilin-5-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(5R,7aR)-1,1,3,3,5-pentamethyl-7,7a-dihydro-6H-cyclopenta[d]oxasilin-5-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID134836522
Molecular FormulaC19H38O2Si2
Molecular Weight354.68 g/mol
Exact Mass354.24
IUPAC Name[(5R,7aR)-1,1,3,3,5-pentamethyl-7,7a-dihydro-6H-cyclopenta[d]oxasilin-5-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC1(C)O[Si](C)(C)C=C2[C@H]1CC[C@@]2(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O2Si2/c1-17(2,3)23(9,10)20-14-19(6)12-11-15-16(19)13-22(7,8)21-18(15,4)5/h13,15H,11-12,14H2,1-10H3/t15-,19+/m1/s1
InChIKeyDXYXGJZIUVVSBX-BEFAXECRSA-N
XLogP5.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.68
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trimethyl-[2-methyl-4-[(1R,2S,3S)-1-methyl-3-prop-1-en-2-yl-2-tri(propan-2-yl)silyloxycyclopentyl]butan-2-yl]oxysilane
CID 101866138
2-[(1R,2E,3R)-2-(bromomethylidene)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]propan-2-yloxy-trimethylsilane
CID 102456007
trimethyl-[2-methyl-4-[(1R,2R,3R)-1-methyl-3-prop-1-en-2-yl-2-tri(propan-2-yl)silyloxycyclopentyl]butan-2-yl]oxysilane
CID 135020039
tert-butyl-dimethyl-[[(1R,2S,3S)-1-methyl-3-prop-1-en-2-yl-2-tri(propan-2-yl)silyloxycyclopentyl]methoxy]silane
CID 135020040
tert-butyl-dimethyl-[[(1R,2R,3R)-1-methyl-3-prop-1-en-2-yl-2-tri(propan-2-yl)silyloxycyclopentyl]methoxy]silane
CID 135020041
tert-butyl-dimethyl-[[(1S,2R,3R)-1-methyl-3-prop-1-en-2-yl-2-tri(propan-2-yl)silyloxycyclopentyl]methoxy]silane
CID 135020514
tert-butyl-dimethyl-[[(1S,2S,3S)-1-methyl-3-prop-1-en-2-yl-2-tri(propan-2-yl)silyloxycyclopentyl]methoxy]silane
CID 135020515

Frequently Asked Questions

What is the IUPAC name of [(5R,7aR)-1,1,3,3,5-pentamethyl-7,7a-dihydro-6H-cyclopenta[d]oxasilin-5-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [(5R,7aR)-1,1,3,3,5-pentamethyl-7,7a-dihydro-6H-cyclopenta[d]oxasilin-5-yl]methoxy-tert-butyl-dimethylsilane (CID 134836522) is [(5R,7aR)-1,1,3,3,5-pentamethyl-7,7a-dihydro-6H-cyclopenta[d]oxasilin-5-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(5R,7aR)-1,1,3,3,5-pentamethyl-7,7a-dihydro-6H-cyclopenta[d]oxasilin-5-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(5R,7aR)-1,1,3,3,5-pentamethyl-7,7a-dihydro-6H-cyclopenta[d]oxasilin-5-yl]methoxy-tert-butyl-dimethylsilane is CC1(C)O[Si](C)(C)C=C2[C@H]1CC[C@@]2(C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(5R,7aR)-1,1,3,3,5-pentamethyl-7,7a-dihydro-6H-cyclopenta[d]oxasilin-5-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is DXYXGJZIUVVSBX-BEFAXECRSA-N. The full InChI is InChI=1S/C19H38O2Si2/c1-17(2,3)23(9,10)20-14-19(6)12-11-15-16(19)13-22(7,8)21-18(15,4)5/h13,15H,11-12,14H2,1-10H3/t15-,19+/m1/s1.
What are the key properties of [(5R,7aR)-1,1,3,3,5-pentamethyl-7,7a-dihydro-6H-cyclopenta[d]oxasilin-5-yl]methoxy-tert-butyl-dimethylsilane?
[(5R,7aR)-1,1,3,3,5-pentamethyl-7,7a-dihydro-6H-cyclopenta[d]oxasilin-5-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 354.68 g/mol, XLogP of 5.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R,7aR)-1,1,3,3,5-pentamethyl-7,7a-dihydro-6H-cyclopenta[d]oxasilin-5-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 134836522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).