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

C18H36O3Si — CID 102271549

IUPAC[(1R,2R)-2-(2,2-dimethoxyethyl)-1-prop-1-en-2-ylcyclooctyl]oxy-trimethylsilane
SMILESC=C(C)[C@@]1(O[Si](C)(C)C)CCCCCC[C@@H]1CC(OC)OC
InChIInChI=1S/C18H36O3Si/c1-15(2)18(21-22(5,6)7)13-11-9-8-10-12-16(18)14-17(19-3)20-4/h16-17H,1,8-14H2,2-7H3/t16-,18+/m1/s1
InChIKeyGVOICSZECZINEL-AEFFLSMTSA-N
MW328.57 g/mol
LogP5.13
Rot. Bonds7

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

[(1R,2R)-2-(2,2-dimethoxyethyl)-1-prop-1-en-2-ylcyclooctyl]oxy-trimethylsilane (PubChem CID 102271549) has the molecular formula C18H36O3Si and a molecular weight of 328.57 g/mol. Its IUPAC name is [(1R,2R)-2-(2,2-dimethoxyethyl)-1-prop-1-en-2-ylcyclooctyl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(1R,2R)-2-(2,2-dimethoxyethyl)-1-prop-1-en-2-ylcyclooctyl]oxy-trimethylsilane
PubChem CID102271549
Molecular FormulaC18H36O3Si
Molecular Weight328.57 g/mol
Exact Mass328.24
IUPAC Name[(1R,2R)-2-(2,2-dimethoxyethyl)-1-prop-1-en-2-ylcyclooctyl]oxy-trimethylsilane
SMILESC=C(C)[C@@]1(O[Si](C)(C)C)CCCCCC[C@@H]1CC(OC)OC
InChIInChI=1S/C18H36O3Si/c1-15(2)18(21-22(5,6)7)13-11-9-8-10-12-16(18)14-17(19-3)20-4/h16-17H,1,8-14H2,2-7H3/t16-,18+/m1/s1
InChIKeyGVOICSZECZINEL-AEFFLSMTSA-N
XLogP5.13
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.57
LogP ≤ 55.13
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,2R)-2-(2,2-dimethoxyethyl)-1-prop-1-en-2-ylcyclooctyl]oxy-trimethylsilane?
The IUPAC name of [(1R,2R)-2-(2,2-dimethoxyethyl)-1-prop-1-en-2-ylcyclooctyl]oxy-trimethylsilane (CID 102271549) is [(1R,2R)-2-(2,2-dimethoxyethyl)-1-prop-1-en-2-ylcyclooctyl]oxy-trimethylsilane.
What is the SMILES notation for [(1R,2R)-2-(2,2-dimethoxyethyl)-1-prop-1-en-2-ylcyclooctyl]oxy-trimethylsilane?
The canonical SMILES for [(1R,2R)-2-(2,2-dimethoxyethyl)-1-prop-1-en-2-ylcyclooctyl]oxy-trimethylsilane is C=C(C)[C@@]1(O[Si](C)(C)C)CCCCCC[C@@H]1CC(OC)OC.
What is the InChIKey of [(1R,2R)-2-(2,2-dimethoxyethyl)-1-prop-1-en-2-ylcyclooctyl]oxy-trimethylsilane?
The InChIKey is GVOICSZECZINEL-AEFFLSMTSA-N. The full InChI is InChI=1S/C18H36O3Si/c1-15(2)18(21-22(5,6)7)13-11-9-8-10-12-16(18)14-17(19-3)20-4/h16-17H,1,8-14H2,2-7H3/t16-,18+/m1/s1.
What are the key properties of [(1R,2R)-2-(2,2-dimethoxyethyl)-1-prop-1-en-2-ylcyclooctyl]oxy-trimethylsilane?
[(1R,2R)-2-(2,2-dimethoxyethyl)-1-prop-1-en-2-ylcyclooctyl]oxy-trimethylsilane has a molecular weight of 328.57 g/mol, XLogP of 5.13, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-(2,2-dimethoxyethyl)-1-prop-1-en-2-ylcyclooctyl]oxy-trimethylsilane is sourced from PubChem (CID 102271549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).