[(1R,3aR,6aR)-4-methylidene-2,3,3a,5,6,6a-hexahydro-1H-pentalen-1-yl]oxy-tert-butyl-dimethylsilane

C15H28OSi — CID 10868799

IUPAC[(1R,3aR,6aR)-4-methylidene-2,3,3a,5,6,6a-hexahydro-1H-pentalen-1-yl]oxy-tert-butyl-dimethylsilane
SMILESC=C1CC[C@H]2[C@H](O[Si](C)(C)C(C)(C)C)CC[C@@H]12
InChIInChI=1S/C15H28OSi/c1-11-7-8-13-12(11)9-10-14(13)16-17(5,6)15(2,3)4/h12-14H,1,7-10H2,2-6H3/t12-,13+,14+/m0/s1
InChIKeySSHIAQOWZJOJBZ-BFHYXJOUSA-N
MW252.47 g/mol
LogP4.75
Rot. Bonds2

About [(1R,3aR,6aR)-4-methylidene-2,3,3a,5,6,6a-hexahydro-1H-pentalen-1-yl]oxy-tert-butyl-dimethylsilane

[(1R,3aR,6aR)-4-methylidene-2,3,3a,5,6,6a-hexahydro-1H-pentalen-1-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 10868799) has the molecular formula C15H28OSi and a molecular weight of 252.47 g/mol. Its IUPAC name is [(1R,3aR,6aR)-4-methylidene-2,3,3a,5,6,6a-hexahydro-1H-pentalen-1-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(1R,3aR,6aR)-4-methylidene-2,3,3a,5,6,6a-hexahydro-1H-pentalen-1-yl]oxy-tert-butyl-dimethylsilane
PubChem CID10868799
Molecular FormulaC15H28OSi
Molecular Weight252.47 g/mol
Exact Mass252.19
IUPAC Name[(1R,3aR,6aR)-4-methylidene-2,3,3a,5,6,6a-hexahydro-1H-pentalen-1-yl]oxy-tert-butyl-dimethylsilane
SMILESC=C1CC[C@H]2[C@H](O[Si](C)(C)C(C)(C)C)CC[C@@H]12
InChIInChI=1S/C15H28OSi/c1-11-7-8-13-12(11)9-10-14(13)16-17(5,6)15(2,3)4/h12-14H,1,7-10H2,2-6H3/t12-,13+,14+/m0/s1
InChIKeySSHIAQOWZJOJBZ-BFHYXJOUSA-N
XLogP4.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.47
LogP ≤ 54.75
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
[(3aR,6aS)-4-methylidene-1,2,3,5,6,6a-hexahydropentalen-3a-yl]oxy-triethylsilane
CID 101522393
[(3aS,6aR)-5-methylidene-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-yl]oxy-tert-butyl-dimethylsilane
CID 102445292
tert-butyl-[(1R,3R,4S)-3-ethyl-4-methyl-2-methylidenecyclopentyl]oxy-dimethylsilane
CID 89888939
1,2,3,3a,4,5,6,6a-Octahydropentalen-1-yloxy-tert-butyl-dimethylsilane
CID 142657121
Trimethyl-[2-(2-methylprop-2-enyl)cyclopentyl]oxysilane
CID 173672862
[(3R,3aS,3bR,6aR,7aS)-6-methylidene-1,2,3,3a,3b,4,5,6a,7,7a-decahydrocyclopenta[a]pentalen-3-yl]oxy-tert-butyl-dimethylsilane
CID 10989996
(1S,3aS,6E,6aR)-6-(trimethylsilylmethylidene)-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-ol
CID 12169599
(1R,3aS,6E,6aR)-6-(trimethylsilylmethylidene)-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-ol
CID 12169600
(1S,3aS,6Z,6aR)-6-(trimethylsilylmethylidene)-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-ol
CID 102460684
(1R,3aS,6Z,6aR)-6-(trimethylsilylmethylidene)-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-ol
CID 102460685

Frequently Asked Questions

What is the IUPAC name of [(1R,3aR,6aR)-4-methylidene-2,3,3a,5,6,6a-hexahydro-1H-pentalen-1-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(1R,3aR,6aR)-4-methylidene-2,3,3a,5,6,6a-hexahydro-1H-pentalen-1-yl]oxy-tert-butyl-dimethylsilane (CID 10868799) is [(1R,3aR,6aR)-4-methylidene-2,3,3a,5,6,6a-hexahydro-1H-pentalen-1-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(1R,3aR,6aR)-4-methylidene-2,3,3a,5,6,6a-hexahydro-1H-pentalen-1-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(1R,3aR,6aR)-4-methylidene-2,3,3a,5,6,6a-hexahydro-1H-pentalen-1-yl]oxy-tert-butyl-dimethylsilane is C=C1CC[C@H]2[C@H](O[Si](C)(C)C(C)(C)C)CC[C@@H]12.
What is the InChIKey of [(1R,3aR,6aR)-4-methylidene-2,3,3a,5,6,6a-hexahydro-1H-pentalen-1-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is SSHIAQOWZJOJBZ-BFHYXJOUSA-N. The full InChI is InChI=1S/C15H28OSi/c1-11-7-8-13-12(11)9-10-14(13)16-17(5,6)15(2,3)4/h12-14H,1,7-10H2,2-6H3/t12-,13+,14+/m0/s1.
What are the key properties of [(1R,3aR,6aR)-4-methylidene-2,3,3a,5,6,6a-hexahydro-1H-pentalen-1-yl]oxy-tert-butyl-dimethylsilane?
[(1R,3aR,6aR)-4-methylidene-2,3,3a,5,6,6a-hexahydro-1H-pentalen-1-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 252.47 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3aR,6aR)-4-methylidene-2,3,3a,5,6,6a-hexahydro-1H-pentalen-1-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 10868799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).