[(1E,3S,7R)-3,7-dimethylcycloocten-1-yl]oxy-trimethylsilane

C13H26OSi — CID 10585376

IUPAC[(1E,3S,7R)-3,7-dimethylcycloocten-1-yl]oxy-trimethylsilane
SMILESC[C@@H]1CCC[C@H](C)/C=C(/O[Si](C)(C)C)C1
InChIInChI=1S/C13H26OSi/c1-11-7-6-8-12(2)10-13(9-11)14-15(3,4)5/h9,11-12H,6-8,10H2,1-5H3/b13-9+/t11-,12+/m0/s1
InChIKeyBATOYWBXADPOEI-PBZFIDODSA-N
MW226.44 g/mol
LogP4.57
Rot. Bonds2

About [(1E,3S,7R)-3,7-dimethylcycloocten-1-yl]oxy-trimethylsilane

[(1E,3S,7R)-3,7-dimethylcycloocten-1-yl]oxy-trimethylsilane (PubChem CID 10585376) has the molecular formula C13H26OSi and a molecular weight of 226.44 g/mol. Its IUPAC name is [(1E,3S,7R)-3,7-dimethylcycloocten-1-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(1E,3S,7R)-3,7-dimethylcycloocten-1-yl]oxy-trimethylsilane
PubChem CID10585376
Molecular FormulaC13H26OSi
Molecular Weight226.44 g/mol
Exact Mass226.18
IUPAC Name[(1E,3S,7R)-3,7-dimethylcycloocten-1-yl]oxy-trimethylsilane
SMILESC[C@@H]1CCC[C@H](C)/C=C(/O[Si](C)(C)C)C1
InChIInChI=1S/C13H26OSi/c1-11-7-6-8-12(2)10-13(9-11)14-15(3,4)5/h9,11-12H,6-8,10H2,1-5H3/b13-9+/t11-,12+/m0/s1
InChIKeyBATOYWBXADPOEI-PBZFIDODSA-N
XLogP4.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.44
LogP ≤ 54.57
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 [(1E,3S,7R)-3,7-dimethylcycloocten-1-yl]oxy-trimethylsilane?
The IUPAC name of [(1E,3S,7R)-3,7-dimethylcycloocten-1-yl]oxy-trimethylsilane (CID 10585376) is [(1E,3S,7R)-3,7-dimethylcycloocten-1-yl]oxy-trimethylsilane.
What is the SMILES notation for [(1E,3S,7R)-3,7-dimethylcycloocten-1-yl]oxy-trimethylsilane?
The canonical SMILES for [(1E,3S,7R)-3,7-dimethylcycloocten-1-yl]oxy-trimethylsilane is C[C@@H]1CCC[C@H](C)/C=C(/O[Si](C)(C)C)C1.
What is the InChIKey of [(1E,3S,7R)-3,7-dimethylcycloocten-1-yl]oxy-trimethylsilane?
The InChIKey is BATOYWBXADPOEI-PBZFIDODSA-N. The full InChI is InChI=1S/C13H26OSi/c1-11-7-6-8-12(2)10-13(9-11)14-15(3,4)5/h9,11-12H,6-8,10H2,1-5H3/b13-9+/t11-,12+/m0/s1.
What are the key properties of [(1E,3S,7R)-3,7-dimethylcycloocten-1-yl]oxy-trimethylsilane?
[(1E,3S,7R)-3,7-dimethylcycloocten-1-yl]oxy-trimethylsilane has a molecular weight of 226.44 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,3S,7R)-3,7-dimethylcycloocten-1-yl]oxy-trimethylsilane is sourced from PubChem (CID 10585376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).