4,4-dimethyl-3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxypentan-1-ol

C19H44O4Si2 — CID 101410812

IUPAC4,4-dimethyl-3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxypentan-1-ol
SMILESCC(C)[Si](OOC(CO)C(O[Si](C)(C)C)C(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H44O4Si2/c1-14(2)25(15(3)4,16(5)6)23-21-17(13-20)18(19(7,8)9)22-24(10,11)12/h14-18,20H,13H2,1-12H3
InChIKeySZKXQFMQOFQWBU-UHFFFAOYSA-N
MW392.73 g/mol
LogP5.74
Rot. Bonds10

About 4,4-dimethyl-3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxypentan-1-ol

4,4-dimethyl-3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxypentan-1-ol (PubChem CID 101410812) has the molecular formula C19H44O4Si2 and a molecular weight of 392.73 g/mol. Its IUPAC name is 4,4-dimethyl-3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxypentan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxypentan-1-ol
PubChem CID101410812
Molecular FormulaC19H44O4Si2
Molecular Weight392.73 g/mol
Exact Mass392.28
IUPAC Name4,4-dimethyl-3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxypentan-1-ol
SMILESCC(C)[Si](OOC(CO)C(O[Si](C)(C)C)C(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H44O4Si2/c1-14(2)25(15(3)4,16(5)6)23-21-17(13-20)18(19(7,8)9)22-24(10,11)12/h14-18,20H,13H2,1-12H3
InChIKeySZKXQFMQOFQWBU-UHFFFAOYSA-N
XLogP5.74
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.73
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxypentan-1-ol?
The IUPAC name of 4,4-dimethyl-3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxypentan-1-ol (CID 101410812) is 4,4-dimethyl-3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxypentan-1-ol.
What is the SMILES notation for 4,4-dimethyl-3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxypentan-1-ol?
The canonical SMILES for 4,4-dimethyl-3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxypentan-1-ol is CC(C)[Si](OOC(CO)C(O[Si](C)(C)C)C(C)(C)C)(C(C)C)C(C)C.
What is the InChIKey of 4,4-dimethyl-3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxypentan-1-ol?
The InChIKey is SZKXQFMQOFQWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H44O4Si2/c1-14(2)25(15(3)4,16(5)6)23-21-17(13-20)18(19(7,8)9)22-24(10,11)12/h14-18,20H,13H2,1-12H3.
What are the key properties of 4,4-dimethyl-3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxypentan-1-ol?
4,4-dimethyl-3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxypentan-1-ol has a molecular weight of 392.73 g/mol, XLogP of 5.74, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-trimethylsilyloxy-2-tri(propan-2-yl)silylperoxypentan-1-ol is sourced from PubChem (CID 101410812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).