3-[(3R,5R)-4,4-dimethyl-2-methylidene-5-(2-methylpropyl)oxolan-3-yl]oxyprop-1-ynyl-tri(propan-2-yl)silane

C23H42O2Si — CID 11428907

IUPAC3-[(3R,5R)-4,4-dimethyl-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)(C)[C@H]1OCC#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C23H42O2Si/c1-16(2)15-21-23(10,11)22(20(9)25-21)24-13-12-14-26(17(3)4,18(5)6)19(7)8/h16-19,21-22H,9,13,15H2,1-8,10-11H3/t21-,22+/m1/s1
InChIKeyOAHNMNRRABXHKV-YADHBBJMSA-N
MW378.67 g/mol
LogP6.58
Rot. Bonds7

About 3-[(3R,5R)-4,4-dimethyl-2-methylidene-5-(2-methylpropyl)oxolan-3-yl]oxyprop-1-ynyl-tri(propan-2-yl)silane

3-[(3R,5R)-4,4-dimethyl-2-methylidene-5-(2-methylpropyl)oxolan-3-yl]oxyprop-1-ynyl-tri(propan-2-yl)silane (PubChem CID 11428907) has the molecular formula C23H42O2Si and a molecular weight of 378.67 g/mol. Its IUPAC name is 3-[(3R,5R)-4,4-dimethyl-2-methylidene-5-(2-methylpropyl)oxolan-3-yl]oxyprop-1-ynyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name3-[(3R,5R)-4,4-dimethyl-2-methylidene-5-(2-methylpropyl)oxolan-3-yl]oxyprop-1-ynyl-tri(propan-2-yl)silane
PubChem CID11428907
Molecular FormulaC23H42O2Si
Molecular Weight378.67 g/mol
Exact Mass378.30
IUPAC Name3-[(3R,5R)-4,4-dimethyl-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)(C)[C@H]1OCC#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C23H42O2Si/c1-16(2)15-21-23(10,11)22(20(9)25-21)24-13-12-14-26(17(3)4,18(5)6)19(7)8/h16-19,21-22H,9,13,15H2,1-8,10-11H3/t21-,22+/m1/s1
InChIKeyOAHNMNRRABXHKV-YADHBBJMSA-N
XLogP6.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.67
LogP ≤ 56.58
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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Frequently Asked Questions

What is the IUPAC name of 3-[(3R,5R)-4,4-dimethyl-2-methylidene-5-(2-methylpropyl)oxolan-3-yl]oxyprop-1-ynyl-tri(propan-2-yl)silane?
The IUPAC name of 3-[(3R,5R)-4,4-dimethyl-2-methylidene-5-(2-methylpropyl)oxolan-3-yl]oxyprop-1-ynyl-tri(propan-2-yl)silane (CID 11428907) is 3-[(3R,5R)-4,4-dimethyl-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)-4,4-dimethyl-2-methylidene-5-(2-methylpropyl)oxolan-3-yl]oxyprop-1-ynyl-tri(propan-2-yl)silane?
The canonical SMILES for 3-[(3R,5R)-4,4-dimethyl-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)(C)[C@H]1OCC#C[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 3-[(3R,5R)-4,4-dimethyl-2-methylidene-5-(2-methylpropyl)oxolan-3-yl]oxyprop-1-ynyl-tri(propan-2-yl)silane?
The InChIKey is OAHNMNRRABXHKV-YADHBBJMSA-N. The full InChI is InChI=1S/C23H42O2Si/c1-16(2)15-21-23(10,11)22(20(9)25-21)24-13-12-14-26(17(3)4,18(5)6)19(7)8/h16-19,21-22H,9,13,15H2,1-8,10-11H3/t21-,22+/m1/s1.
What are the key properties of 3-[(3R,5R)-4,4-dimethyl-2-methylidene-5-(2-methylpropyl)oxolan-3-yl]oxyprop-1-ynyl-tri(propan-2-yl)silane?
3-[(3R,5R)-4,4-dimethyl-2-methylidene-5-(2-methylpropyl)oxolan-3-yl]oxyprop-1-ynyl-tri(propan-2-yl)silane has a molecular weight of 378.67 g/mol, XLogP of 6.58, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,5R)-4,4-dimethyl-2-methylidene-5-(2-methylpropyl)oxolan-3-yl]oxyprop-1-ynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 11428907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).