trimethyl-[1-[(2R,3S)-2-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-3-yl]ethenyl]silane

C19H36O2Si — CID 102254535

IUPACtrimethyl-[1-[(2R,3S)-2-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-3-yl]ethenyl]silane
SMILESC=C([C@H]1CCO[C@@H]1O[C@H]1C[C@H](C)CC[C@@H]1C(C)C)[Si](C)(C)C
InChIInChI=1S/C19H36O2Si/c1-13(2)16-9-8-14(3)12-18(16)21-19-17(10-11-20-19)15(4)22(5,6)7/h13-14,16-19H,4,8-12H2,1-3,5-7H3/t14-,16-,17-,18+,19-/m1/s1
InChIKeyOJDHNGLNLGOOHZ-RXABAKJHSA-N
MW324.58 g/mol
LogP5.26
Rot. Bonds5

About trimethyl-[1-[(2R,3S)-2-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-3-yl]ethenyl]silane

trimethyl-[1-[(2R,3S)-2-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-3-yl]ethenyl]silane (PubChem CID 102254535) has the molecular formula C19H36O2Si and a molecular weight of 324.58 g/mol. Its IUPAC name is trimethyl-[1-[(2R,3S)-2-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-3-yl]ethenyl]silane.

Molecular Properties

Compound Nametrimethyl-[1-[(2R,3S)-2-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-3-yl]ethenyl]silane
PubChem CID102254535
Molecular FormulaC19H36O2Si
Molecular Weight324.58 g/mol
Exact Mass324.25
IUPAC Nametrimethyl-[1-[(2R,3S)-2-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-3-yl]ethenyl]silane
SMILESC=C([C@H]1CCO[C@@H]1O[C@H]1C[C@H](C)CC[C@@H]1C(C)C)[Si](C)(C)C
InChIInChI=1S/C19H36O2Si/c1-13(2)16-9-8-14(3)12-18(16)21-19-17(10-11-20-19)15(4)22(5,6)7/h13-14,16-19H,4,8-12H2,1-3,5-7H3/t14-,16-,17-,18+,19-/m1/s1
InChIKeyOJDHNGLNLGOOHZ-RXABAKJHSA-N
XLogP5.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.58
LogP ≤ 55.26
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 trimethyl-[1-[(2R,3S)-2-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-3-yl]ethenyl]silane?
The IUPAC name of trimethyl-[1-[(2R,3S)-2-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-3-yl]ethenyl]silane (CID 102254535) is trimethyl-[1-[(2R,3S)-2-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-3-yl]ethenyl]silane.
What is the SMILES notation for trimethyl-[1-[(2R,3S)-2-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-3-yl]ethenyl]silane?
The canonical SMILES for trimethyl-[1-[(2R,3S)-2-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-3-yl]ethenyl]silane is C=C([C@H]1CCO[C@@H]1O[C@H]1C[C@H](C)CC[C@@H]1C(C)C)[Si](C)(C)C.
What is the InChIKey of trimethyl-[1-[(2R,3S)-2-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-3-yl]ethenyl]silane?
The InChIKey is OJDHNGLNLGOOHZ-RXABAKJHSA-N. The full InChI is InChI=1S/C19H36O2Si/c1-13(2)16-9-8-14(3)12-18(16)21-19-17(10-11-20-19)15(4)22(5,6)7/h13-14,16-19H,4,8-12H2,1-3,5-7H3/t14-,16-,17-,18+,19-/m1/s1.
What are the key properties of trimethyl-[1-[(2R,3S)-2-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-3-yl]ethenyl]silane?
trimethyl-[1-[(2R,3S)-2-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-3-yl]ethenyl]silane has a molecular weight of 324.58 g/mol, XLogP of 5.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[1-[(2R,3S)-2-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-3-yl]ethenyl]silane is sourced from PubChem (CID 102254535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).