(2R,8R)-4,4-diethyl-8-methoxy-11,11-dimethyl-3,7,10,12-tetraoxa-4-silatricyclo[7.3.0.02,6]dodecane

C14H26O5Si — CID 164670887

IUPAC(2R,8R)-4,4-diethyl-8-methoxy-11,11-dimethyl-3,7,10,12-tetraoxa-4-silatricyclo[7.3.0.02,6]dodecane
SMILESCC[Si]1(CC)CC2O[C@@H](OC)C3OC(C)(C)OC3[C@H]2O1
InChIInChI=1S/C14H26O5Si/c1-6-20(7-2)8-9-10(19-20)11-12(13(15-5)16-9)18-14(3,4)17-11/h9-13H,6-8H2,1-5H3/t9?,10-,11?,12?,13+/m0/s1
InChIKeyXHTOUMAJORGEPA-ZHYIQUJTSA-N
MW302.44 g/mol
LogP2.26
Rot. Bonds3

About (2R,8R)-4,4-diethyl-8-methoxy-11,11-dimethyl-3,7,10,12-tetraoxa-4-silatricyclo[7.3.0.02,6]dodecane

(2R,8R)-4,4-diethyl-8-methoxy-11,11-dimethyl-3,7,10,12-tetraoxa-4-silatricyclo[7.3.0.02,6]dodecane (PubChem CID 164670887) has the molecular formula C14H26O5Si and a molecular weight of 302.44 g/mol. Its IUPAC name is (2R,8R)-4,4-diethyl-8-methoxy-11,11-dimethyl-3,7,10,12-tetraoxa-4-silatricyclo[7.3.0.02,6]dodecane.

Molecular Properties

Compound Name(2R,8R)-4,4-diethyl-8-methoxy-11,11-dimethyl-3,7,10,12-tetraoxa-4-silatricyclo[7.3.0.02,6]dodecane
PubChem CID164670887
Molecular FormulaC14H26O5Si
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name(2R,8R)-4,4-diethyl-8-methoxy-11,11-dimethyl-3,7,10,12-tetraoxa-4-silatricyclo[7.3.0.02,6]dodecane
SMILESCC[Si]1(CC)CC2O[C@@H](OC)C3OC(C)(C)OC3[C@H]2O1
InChIInChI=1S/C14H26O5Si/c1-6-20(7-2)8-9-10(19-20)11-12(13(15-5)16-9)18-14(3,4)17-11/h9-13H,6-8H2,1-5H3/t9?,10-,11?,12?,13+/m0/s1
InChIKeyXHTOUMAJORGEPA-ZHYIQUJTSA-N
XLogP2.26
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 (2R,8R)-4,4-diethyl-8-methoxy-11,11-dimethyl-3,7,10,12-tetraoxa-4-silatricyclo[7.3.0.02,6]dodecane?
The IUPAC name of (2R,8R)-4,4-diethyl-8-methoxy-11,11-dimethyl-3,7,10,12-tetraoxa-4-silatricyclo[7.3.0.02,6]dodecane (CID 164670887) is (2R,8R)-4,4-diethyl-8-methoxy-11,11-dimethyl-3,7,10,12-tetraoxa-4-silatricyclo[7.3.0.02,6]dodecane.
What is the SMILES notation for (2R,8R)-4,4-diethyl-8-methoxy-11,11-dimethyl-3,7,10,12-tetraoxa-4-silatricyclo[7.3.0.02,6]dodecane?
The canonical SMILES for (2R,8R)-4,4-diethyl-8-methoxy-11,11-dimethyl-3,7,10,12-tetraoxa-4-silatricyclo[7.3.0.02,6]dodecane is CC[Si]1(CC)CC2O[C@@H](OC)C3OC(C)(C)OC3[C@H]2O1.
What is the InChIKey of (2R,8R)-4,4-diethyl-8-methoxy-11,11-dimethyl-3,7,10,12-tetraoxa-4-silatricyclo[7.3.0.02,6]dodecane?
The InChIKey is XHTOUMAJORGEPA-ZHYIQUJTSA-N. The full InChI is InChI=1S/C14H26O5Si/c1-6-20(7-2)8-9-10(19-20)11-12(13(15-5)16-9)18-14(3,4)17-11/h9-13H,6-8H2,1-5H3/t9?,10-,11?,12?,13+/m0/s1.
What are the key properties of (2R,8R)-4,4-diethyl-8-methoxy-11,11-dimethyl-3,7,10,12-tetraoxa-4-silatricyclo[7.3.0.02,6]dodecane?
(2R,8R)-4,4-diethyl-8-methoxy-11,11-dimethyl-3,7,10,12-tetraoxa-4-silatricyclo[7.3.0.02,6]dodecane has a molecular weight of 302.44 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,8R)-4,4-diethyl-8-methoxy-11,11-dimethyl-3,7,10,12-tetraoxa-4-silatricyclo[7.3.0.02,6]dodecane is sourced from PubChem (CID 164670887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).