[(2R,3aS,6aR)-1,2,3,3a,4,6a-hexahydropentalen-2-yl]oxy-tert-butyl-dimethylsilane

C14H26OSi — CID 11031953

IUPAC[(2R,3aS,6aR)-1,2,3,3a,4,6a-hexahydropentalen-2-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H]2CC=C[C@@H]2C1
InChIInChI=1S/C14H26OSi/c1-14(2,3)16(4,5)15-13-9-11-7-6-8-12(11)10-13/h6-7,11-13H,8-10H2,1-5H3/t11-,12+,13+/m1/s1
InChIKeyJMMABLNHTGRKJT-AGIUHOORSA-N
MW238.45 g/mol
LogP4.36
Rot. Bonds2

About [(2R,3aS,6aR)-1,2,3,3a,4,6a-hexahydropentalen-2-yl]oxy-tert-butyl-dimethylsilane

[(2R,3aS,6aR)-1,2,3,3a,4,6a-hexahydropentalen-2-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 11031953) has the molecular formula C14H26OSi and a molecular weight of 238.45 g/mol. Its IUPAC name is [(2R,3aS,6aR)-1,2,3,3a,4,6a-hexahydropentalen-2-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2R,3aS,6aR)-1,2,3,3a,4,6a-hexahydropentalen-2-yl]oxy-tert-butyl-dimethylsilane
PubChem CID11031953
Molecular FormulaC14H26OSi
Molecular Weight238.45 g/mol
Exact Mass238.18
IUPAC Name[(2R,3aS,6aR)-1,2,3,3a,4,6a-hexahydropentalen-2-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H]2CC=C[C@@H]2C1
InChIInChI=1S/C14H26OSi/c1-14(2,3)16(4,5)15-13-9-11-7-6-8-12(11)10-13/h6-7,11-13H,8-10H2,1-5H3/t11-,12+,13+/m1/s1
InChIKeyJMMABLNHTGRKJT-AGIUHOORSA-N
XLogP4.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.45
LogP ≤ 54.36
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

[(2S,3aR,6aS)-5-methyl-1,2,3,3a,4,6a-hexahydropentalen-2-yl]oxy-tert-butyl-dimethylsilane
CID 24896923
[(3aS,5S,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-1,3a,4,5,6,6a-hexahydropentalen-2-yl]oxy-triethylsilane
CID 45276649
(3aR,4R,6aS)-2,2,4-trimethyl-4-prop-2-enyl-3a,5,6,6a-tetrahydro-3H-cyclopenta[d]oxasilole
CID 134836441
tert-butyl-[(Z)-1-[(1S,2S)-2-ethylcyclopentyl]oct-1-en-3-yl]oxy-dimethylsilane
CID 134849881
[(3aR,7aS)-5-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane
CID 11242587
trimethyl-[(4Z)-8-methylcyclooct-4-en-1-yl]oxysilane
CID 23092788
tert-butyl-dimethyl-[(4R)-spiro[4.4]non-1-en-4-yl]oxysilane
CID 54477997
2,3,3a,7a-tetrahydro-1H-inden-2-yloxy-di(propan-2-yl)-prop-2-enylsilane
CID 58630462
[(1S,2R,3S,4R)-2-[(Z)-hept-2-enyl]-4-methyl-3-(3-methylbutyl)cyclopentyl]oxy-trimethylsilane
CID 58918223
[(1S,3S,4R)-2-[(Z)-hept-2-enyl]-4-methyl-3-(3-methylbutyl)cyclopentyl]oxy-trimethylsilane
CID 58918229
2,3,3a,7a-tetrahydro-1H-inden-1-yloxy-tert-butyl-dimethylsilane
CID 59879659
Tert-butyl-dimethyl-spiro[4.4]non-1-en-4-yloxysilane
CID 67760573

Frequently Asked Questions

What is the IUPAC name of [(2R,3aS,6aR)-1,2,3,3a,4,6a-hexahydropentalen-2-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2R,3aS,6aR)-1,2,3,3a,4,6a-hexahydropentalen-2-yl]oxy-tert-butyl-dimethylsilane (CID 11031953) is [(2R,3aS,6aR)-1,2,3,3a,4,6a-hexahydropentalen-2-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2R,3aS,6aR)-1,2,3,3a,4,6a-hexahydropentalen-2-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2R,3aS,6aR)-1,2,3,3a,4,6a-hexahydropentalen-2-yl]oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H]2CC=C[C@@H]2C1.
What is the InChIKey of [(2R,3aS,6aR)-1,2,3,3a,4,6a-hexahydropentalen-2-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is JMMABLNHTGRKJT-AGIUHOORSA-N. The full InChI is InChI=1S/C14H26OSi/c1-14(2,3)16(4,5)15-13-9-11-7-6-8-12(11)10-13/h6-7,11-13H,8-10H2,1-5H3/t11-,12+,13+/m1/s1.
What are the key properties of [(2R,3aS,6aR)-1,2,3,3a,4,6a-hexahydropentalen-2-yl]oxy-tert-butyl-dimethylsilane?
[(2R,3aS,6aR)-1,2,3,3a,4,6a-hexahydropentalen-2-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 238.45 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3aS,6aR)-1,2,3,3a,4,6a-hexahydropentalen-2-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11031953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).