3-[(3R,5R)-2-methylidene-5-(2-methylpropyl)oxolan-3-yl]oxyprop-1-ynyl-tri(propan-2-yl)silane

C21H38O2Si — CID 11325581

IUPAC3-[(3R,5R)-2-methylidene-5-(2-methylpropyl)oxolan-3-yl]oxyprop-1-ynyl-tri(propan-2-yl)silane
SMILESC=C1O[C@H](CC(C)C)C[C@H]1OCC#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C21H38O2Si/c1-15(2)13-20-14-21(19(9)23-20)22-11-10-12-24(16(3)4,17(5)6)18(7)8/h15-18,20-21H,9,11,13-14H2,1-8H3/t20-,21-/m1/s1
InChIKeyXSYXIVSBKCKUAZ-NHCUHLMSSA-N
MW350.62 g/mol
LogP5.94
Rot. Bonds7

About 3-[(3R,5R)-2-methylidene-5-(2-methylpropyl)oxolan-3-yl]oxyprop-1-ynyl-tri(propan-2-yl)silane

3-[(3R,5R)-2-methylidene-5-(2-methylpropyl)oxolan-3-yl]oxyprop-1-ynyl-tri(propan-2-yl)silane (PubChem CID 11325581) has the molecular formula C21H38O2Si and a molecular weight of 350.62 g/mol. Its IUPAC name is 3-[(3R,5R)-2-methylidene-5-(2-methylpropyl)oxolan-3-yl]oxyprop-1-ynyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name3-[(3R,5R)-2-methylidene-5-(2-methylpropyl)oxolan-3-yl]oxyprop-1-ynyl-tri(propan-2-yl)silane
PubChem CID11325581
Molecular FormulaC21H38O2Si
Molecular Weight350.62 g/mol
Exact Mass350.26
IUPAC Name3-[(3R,5R)-2-methylidene-5-(2-methylpropyl)oxolan-3-yl]oxyprop-1-ynyl-tri(propan-2-yl)silane
SMILESC=C1O[C@H](CC(C)C)C[C@H]1OCC#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C21H38O2Si/c1-15(2)13-20-14-21(19(9)23-20)22-11-10-12-24(16(3)4,17(5)6)18(7)8/h15-18,20-21H,9,11,13-14H2,1-8H3/t20-,21-/m1/s1
InChIKeyXSYXIVSBKCKUAZ-NHCUHLMSSA-N
XLogP5.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.62
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[[(2R,4S)-2-(2-methylpropyl)-3,4-dihydro-2H-pyran-4-yl]oxy]prop-1-ynyl-tri(propan-2-yl)silane
CID 11268152
3-[(3R,5R)-4,4-dimethyl-2-methylidene-5-(2-methylpropyl)oxolan-3-yl]oxyprop-1-ynyl-tri(propan-2-yl)silane
CID 11428907
3-[[(2R,4R)-2-(2-methylpropyl)-3,4-dihydro-2H-pyran-4-yl]oxy]prop-1-ynyl-tri(propan-2-yl)silane
CID 11416830

Frequently Asked Questions

What is the IUPAC name of 3-[(3R,5R)-2-methylidene-5-(2-methylpropyl)oxolan-3-yl]oxyprop-1-ynyl-tri(propan-2-yl)silane?
The IUPAC name of 3-[(3R,5R)-2-methylidene-5-(2-methylpropyl)oxolan-3-yl]oxyprop-1-ynyl-tri(propan-2-yl)silane (CID 11325581) is 3-[(3R,5R)-2-methylidene-5-(2-methylpropyl)oxolan-3-yl]oxyprop-1-ynyl-tri(propan-2-yl)silane.
What is the SMILES notation for 3-[(3R,5R)-2-methylidene-5-(2-methylpropyl)oxolan-3-yl]oxyprop-1-ynyl-tri(propan-2-yl)silane?
The canonical SMILES for 3-[(3R,5R)-2-methylidene-5-(2-methylpropyl)oxolan-3-yl]oxyprop-1-ynyl-tri(propan-2-yl)silane is C=C1O[C@H](CC(C)C)C[C@H]1OCC#C[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 3-[(3R,5R)-2-methylidene-5-(2-methylpropyl)oxolan-3-yl]oxyprop-1-ynyl-tri(propan-2-yl)silane?
The InChIKey is XSYXIVSBKCKUAZ-NHCUHLMSSA-N. The full InChI is InChI=1S/C21H38O2Si/c1-15(2)13-20-14-21(19(9)23-20)22-11-10-12-24(16(3)4,17(5)6)18(7)8/h15-18,20-21H,9,11,13-14H2,1-8H3/t20-,21-/m1/s1.
What are the key properties of 3-[(3R,5R)-2-methylidene-5-(2-methylpropyl)oxolan-3-yl]oxyprop-1-ynyl-tri(propan-2-yl)silane?
3-[(3R,5R)-2-methylidene-5-(2-methylpropyl)oxolan-3-yl]oxyprop-1-ynyl-tri(propan-2-yl)silane has a molecular weight of 350.62 g/mol, XLogP of 5.94, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,5R)-2-methylidene-5-(2-methylpropyl)oxolan-3-yl]oxyprop-1-ynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 11325581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).