[(1R)-2-(2,2-dimethoxyethyl)-1-prop-1-en-2-ylcyclododecyl]oxy-trimethylsilane

C22H44O3Si — CID 177424209

IUPAC[(1R)-2-(2,2-dimethoxyethyl)-1-prop-1-en-2-ylcyclododecyl]oxy-trimethylsilane
SMILESC=C(C)[C@@]1(O[Si](C)(C)C)CCCCCCCCCCC1CC(OC)OC
InChIInChI=1S/C22H44O3Si/c1-19(2)22(25-26(5,6)7)17-15-13-11-9-8-10-12-14-16-20(22)18-21(23-3)24-4/h20-21H,1,8-18H2,2-7H3/t20?,22-/m0/s1
InChIKeyLLROKMKLKNUAIA-IAXKEJLGSA-N
MW384.68 g/mol
LogP6.69
Rot. Bonds7

About [(1R)-2-(2,2-dimethoxyethyl)-1-prop-1-en-2-ylcyclododecyl]oxy-trimethylsilane

[(1R)-2-(2,2-dimethoxyethyl)-1-prop-1-en-2-ylcyclododecyl]oxy-trimethylsilane (PubChem CID 177424209) has the molecular formula C22H44O3Si and a molecular weight of 384.68 g/mol. Its IUPAC name is [(1R)-2-(2,2-dimethoxyethyl)-1-prop-1-en-2-ylcyclododecyl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(1R)-2-(2,2-dimethoxyethyl)-1-prop-1-en-2-ylcyclododecyl]oxy-trimethylsilane
PubChem CID177424209
Molecular FormulaC22H44O3Si
Molecular Weight384.68 g/mol
Exact Mass384.31
IUPAC Name[(1R)-2-(2,2-dimethoxyethyl)-1-prop-1-en-2-ylcyclododecyl]oxy-trimethylsilane
SMILESC=C(C)[C@@]1(O[Si](C)(C)C)CCCCCCCCCCC1CC(OC)OC
InChIInChI=1S/C22H44O3Si/c1-19(2)22(25-26(5,6)7)17-15-13-11-9-8-10-12-14-16-20(22)18-21(23-3)24-4/h20-21H,1,8-18H2,2-7H3/t20?,22-/m0/s1
InChIKeyLLROKMKLKNUAIA-IAXKEJLGSA-N
XLogP6.69
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.68
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(2,2-dimethoxyethyl)-1-prop-1-en-2-ylcyclododecyl]oxy-trimethylsilane?
The IUPAC name of [(1R)-2-(2,2-dimethoxyethyl)-1-prop-1-en-2-ylcyclododecyl]oxy-trimethylsilane (CID 177424209) is [(1R)-2-(2,2-dimethoxyethyl)-1-prop-1-en-2-ylcyclododecyl]oxy-trimethylsilane.
What is the SMILES notation for [(1R)-2-(2,2-dimethoxyethyl)-1-prop-1-en-2-ylcyclododecyl]oxy-trimethylsilane?
The canonical SMILES for [(1R)-2-(2,2-dimethoxyethyl)-1-prop-1-en-2-ylcyclododecyl]oxy-trimethylsilane is C=C(C)[C@@]1(O[Si](C)(C)C)CCCCCCCCCCC1CC(OC)OC.
What is the InChIKey of [(1R)-2-(2,2-dimethoxyethyl)-1-prop-1-en-2-ylcyclododecyl]oxy-trimethylsilane?
The InChIKey is LLROKMKLKNUAIA-IAXKEJLGSA-N. The full InChI is InChI=1S/C22H44O3Si/c1-19(2)22(25-26(5,6)7)17-15-13-11-9-8-10-12-14-16-20(22)18-21(23-3)24-4/h20-21H,1,8-18H2,2-7H3/t20?,22-/m0/s1.
What are the key properties of [(1R)-2-(2,2-dimethoxyethyl)-1-prop-1-en-2-ylcyclododecyl]oxy-trimethylsilane?
[(1R)-2-(2,2-dimethoxyethyl)-1-prop-1-en-2-ylcyclododecyl]oxy-trimethylsilane has a molecular weight of 384.68 g/mol, XLogP of 6.69, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(2,2-dimethoxyethyl)-1-prop-1-en-2-ylcyclododecyl]oxy-trimethylsilane is sourced from PubChem (CID 177424209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).