2-(2,2,5,6,7-pentamethyloctan-5-yl)-3-(3-trimethylsilylpropoxy)cyclopropan-1-ol

C22H46O2Si — CID 91074560

IUPAC2-(2,2,5,6,7-pentamethyloctan-5-yl)-3-(3-trimethylsilylpropoxy)cyclopropan-1-ol
SMILESCC(C)C(C)C(C)(CCC(C)(C)C)C1C(O)C1OCCC[Si](C)(C)C
InChIInChI=1S/C22H46O2Si/c1-16(2)17(3)22(7,13-12-21(4,5)6)18-19(23)20(18)24-14-11-15-25(8,9)10/h16-20,23H,11-15H2,1-10H3
InChIKeySYQBETDACCOEAK-UHFFFAOYSA-N
MW370.69 g/mol
LogP6.22
Rot. Bonds10

About 2-(2,2,5,6,7-pentamethyloctan-5-yl)-3-(3-trimethylsilylpropoxy)cyclopropan-1-ol

2-(2,2,5,6,7-pentamethyloctan-5-yl)-3-(3-trimethylsilylpropoxy)cyclopropan-1-ol (PubChem CID 91074560) has the molecular formula C22H46O2Si and a molecular weight of 370.69 g/mol. Its IUPAC name is 2-(2,2,5,6,7-pentamethyloctan-5-yl)-3-(3-trimethylsilylpropoxy)cyclopropan-1-ol.

Molecular Properties

Compound Name2-(2,2,5,6,7-pentamethyloctan-5-yl)-3-(3-trimethylsilylpropoxy)cyclopropan-1-ol
PubChem CID91074560
Molecular FormulaC22H46O2Si
Molecular Weight370.69 g/mol
Exact Mass370.33
IUPAC Name2-(2,2,5,6,7-pentamethyloctan-5-yl)-3-(3-trimethylsilylpropoxy)cyclopropan-1-ol
SMILESCC(C)C(C)C(C)(CCC(C)(C)C)C1C(O)C1OCCC[Si](C)(C)C
InChIInChI=1S/C22H46O2Si/c1-16(2)17(3)22(7,13-12-21(4,5)6)18-19(23)20(18)24-14-11-15-25(8,9)10/h16-20,23H,11-15H2,1-10H3
InChIKeySYQBETDACCOEAK-UHFFFAOYSA-N
XLogP6.22
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.69
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,5,6,7-pentamethyloctan-5-yl)-3-(3-trimethylsilylpropoxy)cyclopropan-1-ol?
The IUPAC name of 2-(2,2,5,6,7-pentamethyloctan-5-yl)-3-(3-trimethylsilylpropoxy)cyclopropan-1-ol (CID 91074560) is 2-(2,2,5,6,7-pentamethyloctan-5-yl)-3-(3-trimethylsilylpropoxy)cyclopropan-1-ol.
What is the SMILES notation for 2-(2,2,5,6,7-pentamethyloctan-5-yl)-3-(3-trimethylsilylpropoxy)cyclopropan-1-ol?
The canonical SMILES for 2-(2,2,5,6,7-pentamethyloctan-5-yl)-3-(3-trimethylsilylpropoxy)cyclopropan-1-ol is CC(C)C(C)C(C)(CCC(C)(C)C)C1C(O)C1OCCC[Si](C)(C)C.
What is the InChIKey of 2-(2,2,5,6,7-pentamethyloctan-5-yl)-3-(3-trimethylsilylpropoxy)cyclopropan-1-ol?
The InChIKey is SYQBETDACCOEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46O2Si/c1-16(2)17(3)22(7,13-12-21(4,5)6)18-19(23)20(18)24-14-11-15-25(8,9)10/h16-20,23H,11-15H2,1-10H3.
What are the key properties of 2-(2,2,5,6,7-pentamethyloctan-5-yl)-3-(3-trimethylsilylpropoxy)cyclopropan-1-ol?
2-(2,2,5,6,7-pentamethyloctan-5-yl)-3-(3-trimethylsilylpropoxy)cyclopropan-1-ol has a molecular weight of 370.69 g/mol, XLogP of 6.22, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,5,6,7-pentamethyloctan-5-yl)-3-(3-trimethylsilylpropoxy)cyclopropan-1-ol is sourced from PubChem (CID 91074560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).