[(3R,5R)-3-[2-(1,3-dioxolan-2-yl)ethyl]-5-methylcyclohexen-1-yl]oxy-trimethylsilane

C15H28O3Si — CID 11346651

IUPAC[(3R,5R)-3-[2-(1,3-dioxolan-2-yl)ethyl]-5-methylcyclohexen-1-yl]oxy-trimethylsilane
SMILESC[C@H]1CC(O[Si](C)(C)C)=C[C@H](CCC2OCCO2)C1
InChIInChI=1S/C15H28O3Si/c1-12-9-13(5-6-15-16-7-8-17-15)11-14(10-12)18-19(2,3)4/h11-13,15H,5-10H2,1-4H3/t12-,13-/m1/s1
InChIKeyMOBNFOHASWTMPL-CHWSQXEVSA-N
MW284.47 g/mol
LogP3.92
Rot. Bonds5

About [(3R,5R)-3-[2-(1,3-dioxolan-2-yl)ethyl]-5-methylcyclohexen-1-yl]oxy-trimethylsilane

[(3R,5R)-3-[2-(1,3-dioxolan-2-yl)ethyl]-5-methylcyclohexen-1-yl]oxy-trimethylsilane (PubChem CID 11346651) has the molecular formula C15H28O3Si and a molecular weight of 284.47 g/mol. Its IUPAC name is [(3R,5R)-3-[2-(1,3-dioxolan-2-yl)ethyl]-5-methylcyclohexen-1-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(3R,5R)-3-[2-(1,3-dioxolan-2-yl)ethyl]-5-methylcyclohexen-1-yl]oxy-trimethylsilane
PubChem CID11346651
Molecular FormulaC15H28O3Si
Molecular Weight284.47 g/mol
Exact Mass284.18
IUPAC Name[(3R,5R)-3-[2-(1,3-dioxolan-2-yl)ethyl]-5-methylcyclohexen-1-yl]oxy-trimethylsilane
SMILESC[C@H]1CC(O[Si](C)(C)C)=C[C@H](CCC2OCCO2)C1
InChIInChI=1S/C15H28O3Si/c1-12-9-13(5-6-15-16-7-8-17-15)11-14(10-12)18-19(2,3)4/h11-13,15H,5-10H2,1-4H3/t12-,13-/m1/s1
InChIKeyMOBNFOHASWTMPL-CHWSQXEVSA-N
XLogP3.92
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 [(3R,5R)-3-[2-(1,3-dioxolan-2-yl)ethyl]-5-methylcyclohexen-1-yl]oxy-trimethylsilane?
The IUPAC name of [(3R,5R)-3-[2-(1,3-dioxolan-2-yl)ethyl]-5-methylcyclohexen-1-yl]oxy-trimethylsilane (CID 11346651) is [(3R,5R)-3-[2-(1,3-dioxolan-2-yl)ethyl]-5-methylcyclohexen-1-yl]oxy-trimethylsilane.
What is the SMILES notation for [(3R,5R)-3-[2-(1,3-dioxolan-2-yl)ethyl]-5-methylcyclohexen-1-yl]oxy-trimethylsilane?
The canonical SMILES for [(3R,5R)-3-[2-(1,3-dioxolan-2-yl)ethyl]-5-methylcyclohexen-1-yl]oxy-trimethylsilane is C[C@H]1CC(O[Si](C)(C)C)=C[C@H](CCC2OCCO2)C1.
What is the InChIKey of [(3R,5R)-3-[2-(1,3-dioxolan-2-yl)ethyl]-5-methylcyclohexen-1-yl]oxy-trimethylsilane?
The InChIKey is MOBNFOHASWTMPL-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H28O3Si/c1-12-9-13(5-6-15-16-7-8-17-15)11-14(10-12)18-19(2,3)4/h11-13,15H,5-10H2,1-4H3/t12-,13-/m1/s1.
What are the key properties of [(3R,5R)-3-[2-(1,3-dioxolan-2-yl)ethyl]-5-methylcyclohexen-1-yl]oxy-trimethylsilane?
[(3R,5R)-3-[2-(1,3-dioxolan-2-yl)ethyl]-5-methylcyclohexen-1-yl]oxy-trimethylsilane has a molecular weight of 284.47 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5R)-3-[2-(1,3-dioxolan-2-yl)ethyl]-5-methylcyclohexen-1-yl]oxy-trimethylsilane is sourced from PubChem (CID 11346651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).