[(1S,3aS,6aR)-4-propyl-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]oxy-tri(propan-2-yl)silane

C20H40OSi — CID 71000984

IUPAC[(1S,3aS,6aR)-4-propyl-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]oxy-tri(propan-2-yl)silane
SMILESCCCC1CC[C@H]2[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)CC[C@@H]12
InChIInChI=1S/C20H40OSi/c1-8-9-17-10-11-19-18(17)12-13-20(19)21-22(14(2)3,15(4)5)16(6)7/h14-20H,8-13H2,1-7H3/t17?,18-,19+,20-/m0/s1
InChIKeyQWPTVHYFRJYSBA-NXEWRWPSSA-N
MW324.63 g/mol
LogP6.78
Rot. Bonds7

About [(1S,3aS,6aR)-4-propyl-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]oxy-tri(propan-2-yl)silane

[(1S,3aS,6aR)-4-propyl-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]oxy-tri(propan-2-yl)silane (PubChem CID 71000984) has the molecular formula C20H40OSi and a molecular weight of 324.63 g/mol. Its IUPAC name is [(1S,3aS,6aR)-4-propyl-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(1S,3aS,6aR)-4-propyl-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]oxy-tri(propan-2-yl)silane
PubChem CID71000984
Molecular FormulaC20H40OSi
Molecular Weight324.63 g/mol
Exact Mass324.28
IUPAC Name[(1S,3aS,6aR)-4-propyl-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]oxy-tri(propan-2-yl)silane
SMILESCCCC1CC[C@H]2[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)CC[C@@H]12
InChIInChI=1S/C20H40OSi/c1-8-9-17-10-11-19-18(17)12-13-20(19)21-22(14(2)3,15(4)5)16(6)7/h14-20H,8-13H2,1-7H3/t17?,18-,19+,20-/m0/s1
InChIKeyQWPTVHYFRJYSBA-NXEWRWPSSA-N
XLogP6.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.63
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1S,3aS,6aR)-4-propyl-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(1S,3aS,6aR)-4-propyl-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]oxy-tri(propan-2-yl)silane (CID 71000984) is [(1S,3aS,6aR)-4-propyl-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(1S,3aS,6aR)-4-propyl-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(1S,3aS,6aR)-4-propyl-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]oxy-tri(propan-2-yl)silane is CCCC1CC[C@H]2[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)CC[C@@H]12.
What is the InChIKey of [(1S,3aS,6aR)-4-propyl-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is QWPTVHYFRJYSBA-NXEWRWPSSA-N. The full InChI is InChI=1S/C20H40OSi/c1-8-9-17-10-11-19-18(17)12-13-20(19)21-22(14(2)3,15(4)5)16(6)7/h14-20H,8-13H2,1-7H3/t17?,18-,19+,20-/m0/s1.
What are the key properties of [(1S,3aS,6aR)-4-propyl-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]oxy-tri(propan-2-yl)silane?
[(1S,3aS,6aR)-4-propyl-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 324.63 g/mol, XLogP of 6.78, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3aS,6aR)-4-propyl-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 71000984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).