tri(propan-2-yl)-[(2S,3R)-2,6,6-trimethyl-2-(4-methylpent-3-enyl)oxan-3-yl]oxysilane

C23H46O2Si — CID 102374991

IUPACtri(propan-2-yl)-[(2S,3R)-2,6,6-trimethyl-2-(4-methylpent-3-enyl)oxan-3-yl]oxysilane
SMILESCC(C)=CCC[C@]1(C)OC(C)(C)CC[C@H]1O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C23H46O2Si/c1-17(2)13-12-15-23(11)21(14-16-22(9,10)25-23)24-26(18(3)4,19(5)6)20(7)8/h13,18-21H,12,14-16H2,1-11H3/t21-,23+/m1/s1
InChIKeyMTGFKNPVTFKFCD-GGAORHGYSA-N
MW382.71 g/mol
LogP7.64
Rot. Bonds8

About tri(propan-2-yl)-[(2S,3R)-2,6,6-trimethyl-2-(4-methylpent-3-enyl)oxan-3-yl]oxysilane

tri(propan-2-yl)-[(2S,3R)-2,6,6-trimethyl-2-(4-methylpent-3-enyl)oxan-3-yl]oxysilane (PubChem CID 102374991) has the molecular formula C23H46O2Si and a molecular weight of 382.71 g/mol. Its IUPAC name is tri(propan-2-yl)-[(2S,3R)-2,6,6-trimethyl-2-(4-methylpent-3-enyl)oxan-3-yl]oxysilane.

Molecular Properties

Compound Nametri(propan-2-yl)-[(2S,3R)-2,6,6-trimethyl-2-(4-methylpent-3-enyl)oxan-3-yl]oxysilane
PubChem CID102374991
Molecular FormulaC23H46O2Si
Molecular Weight382.71 g/mol
Exact Mass382.33
IUPAC Nametri(propan-2-yl)-[(2S,3R)-2,6,6-trimethyl-2-(4-methylpent-3-enyl)oxan-3-yl]oxysilane
SMILESCC(C)=CCC[C@]1(C)OC(C)(C)CC[C@H]1O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C23H46O2Si/c1-17(2)13-12-15-23(11)21(14-16-22(9,10)25-23)24-26(18(3)4,19(5)6)20(7)8/h13,18-21H,12,14-16H2,1-11H3/t21-,23+/m1/s1
InChIKeyMTGFKNPVTFKFCD-GGAORHGYSA-N
XLogP7.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.71
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 tri(propan-2-yl)-[(2S,3R)-2,6,6-trimethyl-2-(4-methylpent-3-enyl)oxan-3-yl]oxysilane?
The IUPAC name of tri(propan-2-yl)-[(2S,3R)-2,6,6-trimethyl-2-(4-methylpent-3-enyl)oxan-3-yl]oxysilane (CID 102374991) is tri(propan-2-yl)-[(2S,3R)-2,6,6-trimethyl-2-(4-methylpent-3-enyl)oxan-3-yl]oxysilane.
What is the SMILES notation for tri(propan-2-yl)-[(2S,3R)-2,6,6-trimethyl-2-(4-methylpent-3-enyl)oxan-3-yl]oxysilane?
The canonical SMILES for tri(propan-2-yl)-[(2S,3R)-2,6,6-trimethyl-2-(4-methylpent-3-enyl)oxan-3-yl]oxysilane is CC(C)=CCC[C@]1(C)OC(C)(C)CC[C@H]1O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)-[(2S,3R)-2,6,6-trimethyl-2-(4-methylpent-3-enyl)oxan-3-yl]oxysilane?
The InChIKey is MTGFKNPVTFKFCD-GGAORHGYSA-N. The full InChI is InChI=1S/C23H46O2Si/c1-17(2)13-12-15-23(11)21(14-16-22(9,10)25-23)24-26(18(3)4,19(5)6)20(7)8/h13,18-21H,12,14-16H2,1-11H3/t21-,23+/m1/s1.
What are the key properties of tri(propan-2-yl)-[(2S,3R)-2,6,6-trimethyl-2-(4-methylpent-3-enyl)oxan-3-yl]oxysilane?
tri(propan-2-yl)-[(2S,3R)-2,6,6-trimethyl-2-(4-methylpent-3-enyl)oxan-3-yl]oxysilane has a molecular weight of 382.71 g/mol, XLogP of 7.64, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)-[(2S,3R)-2,6,6-trimethyl-2-(4-methylpent-3-enyl)oxan-3-yl]oxysilane is sourced from PubChem (CID 102374991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).