trimethyl-[(2S)-1-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pent-4-en-2-yl]oxysilane

C15H30O3Si — CID 10085412

IUPACtrimethyl-[(2S)-1-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pent-4-en-2-yl]oxysilane
SMILESC=CC[C@@H](C[C@@H]1OC(C)(C)OC[C@H]1C)O[Si](C)(C)C
InChIInChI=1S/C15H30O3Si/c1-8-9-13(18-19(5,6)7)10-14-12(2)11-16-15(3,4)17-14/h8,12-14H,1,9-11H2,2-7H3/t12-,13+,14+/m1/s1
InChIKeyVOAFEDSNNHIDKQ-RDBSUJKOSA-N
MW286.49 g/mol
LogP3.96
Rot. Bonds6

About trimethyl-[(2S)-1-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pent-4-en-2-yl]oxysilane

trimethyl-[(2S)-1-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pent-4-en-2-yl]oxysilane (PubChem CID 10085412) has the molecular formula C15H30O3Si and a molecular weight of 286.49 g/mol. Its IUPAC name is trimethyl-[(2S)-1-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pent-4-en-2-yl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[(2S)-1-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pent-4-en-2-yl]oxysilane
PubChem CID10085412
Molecular FormulaC15H30O3Si
Molecular Weight286.49 g/mol
Exact Mass286.20
IUPAC Nametrimethyl-[(2S)-1-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pent-4-en-2-yl]oxysilane
SMILESC=CC[C@@H](C[C@@H]1OC(C)(C)OC[C@H]1C)O[Si](C)(C)C
InChIInChI=1S/C15H30O3Si/c1-8-9-13(18-19(5,6)7)10-14-12(2)11-16-15(3,4)17-14/h8,12-14H,1,9-11H2,2-7H3/t12-,13+,14+/m1/s1
InChIKeyVOAFEDSNNHIDKQ-RDBSUJKOSA-N
XLogP3.96
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[(2S)-1-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pent-4-en-2-yl]oxysilane?
The IUPAC name of trimethyl-[(2S)-1-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pent-4-en-2-yl]oxysilane (CID 10085412) is trimethyl-[(2S)-1-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pent-4-en-2-yl]oxysilane.
What is the SMILES notation for trimethyl-[(2S)-1-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pent-4-en-2-yl]oxysilane?
The canonical SMILES for trimethyl-[(2S)-1-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pent-4-en-2-yl]oxysilane is C=CC[C@@H](C[C@@H]1OC(C)(C)OC[C@H]1C)O[Si](C)(C)C.
What is the InChIKey of trimethyl-[(2S)-1-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pent-4-en-2-yl]oxysilane?
The InChIKey is VOAFEDSNNHIDKQ-RDBSUJKOSA-N. The full InChI is InChI=1S/C15H30O3Si/c1-8-9-13(18-19(5,6)7)10-14-12(2)11-16-15(3,4)17-14/h8,12-14H,1,9-11H2,2-7H3/t12-,13+,14+/m1/s1.
What are the key properties of trimethyl-[(2S)-1-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pent-4-en-2-yl]oxysilane?
trimethyl-[(2S)-1-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pent-4-en-2-yl]oxysilane has a molecular weight of 286.49 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(2S)-1-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pent-4-en-2-yl]oxysilane is sourced from PubChem (CID 10085412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).