2,2-dimethyl-6-(1-phenylpropyl)oxasilinane;silicic acid

C15H28O5Si2 — CID 175371599

IUPAC2,2-dimethyl-6-(1-phenylpropyl)oxasilinane;silicic acid
SMILESCCC(c1ccccc1)C1CCC[Si](C)(C)O1.O[Si](O)(O)O
InChIInChI=1S/C15H24OSi.H4O4Si/c1-4-14(13-9-6-5-7-10-13)15-11-8-12-17(2,3)16-15;1-5(2,3)4/h5-7,9-10,14-15H,4,8,11-12H2,1-3H3;1-4H
InChIKeyDSMAAEYKWHJUBV-UHFFFAOYSA-N
MW344.56 g/mol
LogP1.96
Rot. Bonds3

About 2,2-dimethyl-6-(1-phenylpropyl)oxasilinane;silicic acid

2,2-dimethyl-6-(1-phenylpropyl)oxasilinane;silicic acid (PubChem CID 175371599) has the molecular formula C15H28O5Si2 and a molecular weight of 344.56 g/mol. Its IUPAC name is 2,2-dimethyl-6-(1-phenylpropyl)oxasilinane;silicic acid.

Molecular Properties

Compound Name2,2-dimethyl-6-(1-phenylpropyl)oxasilinane;silicic acid
PubChem CID175371599
Molecular FormulaC15H28O5Si2
Molecular Weight344.56 g/mol
Exact Mass344.15
IUPAC Name2,2-dimethyl-6-(1-phenylpropyl)oxasilinane;silicic acid
SMILESCCC(c1ccccc1)C1CCC[Si](C)(C)O1.O[Si](O)(O)O
InChIInChI=1S/C15H24OSi.H4O4Si/c1-4-14(13-9-6-5-7-10-13)15-11-8-12-17(2,3)16-15;1-5(2,3)4/h5-7,9-10,14-15H,4,8,11-12H2,1-3H3;1-4H
InChIKeyDSMAAEYKWHJUBV-UHFFFAOYSA-N
XLogP1.96
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.56
LogP ≤ 51.96
H-Bond Donors ≤ 54
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 2,2-dimethyl-6-(1-phenylpropyl)oxasilinane;silicic acid?
The IUPAC name of 2,2-dimethyl-6-(1-phenylpropyl)oxasilinane;silicic acid (CID 175371599) is 2,2-dimethyl-6-(1-phenylpropyl)oxasilinane;silicic acid.
What is the SMILES notation for 2,2-dimethyl-6-(1-phenylpropyl)oxasilinane;silicic acid?
The canonical SMILES for 2,2-dimethyl-6-(1-phenylpropyl)oxasilinane;silicic acid is CCC(c1ccccc1)C1CCC[Si](C)(C)O1.O[Si](O)(O)O.
What is the InChIKey of 2,2-dimethyl-6-(1-phenylpropyl)oxasilinane;silicic acid?
The InChIKey is DSMAAEYKWHJUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24OSi.H4O4Si/c1-4-14(13-9-6-5-7-10-13)15-11-8-12-17(2,3)16-15;1-5(2,3)4/h5-7,9-10,14-15H,4,8,11-12H2,1-3H3;1-4H.
What are the key properties of 2,2-dimethyl-6-(1-phenylpropyl)oxasilinane;silicic acid?
2,2-dimethyl-6-(1-phenylpropyl)oxasilinane;silicic acid has a molecular weight of 344.56 g/mol, XLogP of 1.96, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-(1-phenylpropyl)oxasilinane;silicic acid is sourced from PubChem (CID 175371599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).