[(3aS,6aS)-5-trimethylsilyloxy-1,3a,4,6a-tetrahydropentalen-2-yl]oxy-trimethylsilane

C14H26O2Si2 — CID 15547914

IUPAC[(3aS,6aS)-5-trimethylsilyloxy-1,3a,4,6a-tetrahydropentalen-2-yl]oxy-trimethylsilane
SMILESC[Si](C)(C)OC1=C[C@H]2CC(O[Si](C)(C)C)=C[C@H]2C1
InChIInChI=1S/C14H26O2Si2/c1-17(2,3)15-13-7-11-9-14(10-12(11)8-13)16-18(4,5)6/h7,10-12H,8-9H2,1-6H3/t11-,12+/m0/s1
InChIKeyWJWJAIKPNXNXGT-NWDGAFQWSA-N
MW282.53 g/mol
LogP4.50
Rot. Bonds4

About [(3aS,6aS)-5-trimethylsilyloxy-1,3a,4,6a-tetrahydropentalen-2-yl]oxy-trimethylsilane

[(3aS,6aS)-5-trimethylsilyloxy-1,3a,4,6a-tetrahydropentalen-2-yl]oxy-trimethylsilane (PubChem CID 15547914) has the molecular formula C14H26O2Si2 and a molecular weight of 282.53 g/mol. Its IUPAC name is [(3aS,6aS)-5-trimethylsilyloxy-1,3a,4,6a-tetrahydropentalen-2-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(3aS,6aS)-5-trimethylsilyloxy-1,3a,4,6a-tetrahydropentalen-2-yl]oxy-trimethylsilane
PubChem CID15547914
Molecular FormulaC14H26O2Si2
Molecular Weight282.53 g/mol
Exact Mass282.15
IUPAC Name[(3aS,6aS)-5-trimethylsilyloxy-1,3a,4,6a-tetrahydropentalen-2-yl]oxy-trimethylsilane
SMILESC[Si](C)(C)OC1=C[C@H]2CC(O[Si](C)(C)C)=C[C@H]2C1
InChIInChI=1S/C14H26O2Si2/c1-17(2,3)15-13-7-11-9-14(10-12(11)8-13)16-18(4,5)6/h7,10-12H,8-9H2,1-6H3/t11-,12+/m0/s1
InChIKeyWJWJAIKPNXNXGT-NWDGAFQWSA-N
XLogP4.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.53
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 [(3aS,6aS)-5-trimethylsilyloxy-1,3a,4,6a-tetrahydropentalen-2-yl]oxy-trimethylsilane?
The IUPAC name of [(3aS,6aS)-5-trimethylsilyloxy-1,3a,4,6a-tetrahydropentalen-2-yl]oxy-trimethylsilane (CID 15547914) is [(3aS,6aS)-5-trimethylsilyloxy-1,3a,4,6a-tetrahydropentalen-2-yl]oxy-trimethylsilane.
What is the SMILES notation for [(3aS,6aS)-5-trimethylsilyloxy-1,3a,4,6a-tetrahydropentalen-2-yl]oxy-trimethylsilane?
The canonical SMILES for [(3aS,6aS)-5-trimethylsilyloxy-1,3a,4,6a-tetrahydropentalen-2-yl]oxy-trimethylsilane is C[Si](C)(C)OC1=C[C@H]2CC(O[Si](C)(C)C)=C[C@H]2C1.
What is the InChIKey of [(3aS,6aS)-5-trimethylsilyloxy-1,3a,4,6a-tetrahydropentalen-2-yl]oxy-trimethylsilane?
The InChIKey is WJWJAIKPNXNXGT-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H26O2Si2/c1-17(2,3)15-13-7-11-9-14(10-12(11)8-13)16-18(4,5)6/h7,10-12H,8-9H2,1-6H3/t11-,12+/m0/s1.
What are the key properties of [(3aS,6aS)-5-trimethylsilyloxy-1,3a,4,6a-tetrahydropentalen-2-yl]oxy-trimethylsilane?
[(3aS,6aS)-5-trimethylsilyloxy-1,3a,4,6a-tetrahydropentalen-2-yl]oxy-trimethylsilane has a molecular weight of 282.53 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,6aS)-5-trimethylsilyloxy-1,3a,4,6a-tetrahydropentalen-2-yl]oxy-trimethylsilane is sourced from PubChem (CID 15547914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).