1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]-2-dimethoxyphosphorylethanone

C17H35O5PSi — CID 131746645

IUPAC1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]-2-dimethoxyphosphorylethanone
SMILESCOP(=O)(CC(=O)C1CCC(CO[Si](C)(C)C(C)(C)C)CC1)OC
InChIInChI=1S/C17H35O5PSi/c1-17(2,3)24(6,7)22-12-14-8-10-15(11-9-14)16(18)13-23(19,20-4)21-5/h14-15H,8-13H2,1-7H3
InChIKeyOEQXVLKIFGGNNI-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.87
Rot. Bonds8

About 1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]-2-dimethoxyphosphorylethanone

1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]-2-dimethoxyphosphorylethanone (PubChem CID 131746645) has the molecular formula C17H35O5PSi and a molecular weight of 378.52 g/mol. Its IUPAC name is 1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]-2-dimethoxyphosphorylethanone.

Molecular Properties

Compound Name1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]-2-dimethoxyphosphorylethanone
PubChem CID131746645
Molecular FormulaC17H35O5PSi
Molecular Weight378.52 g/mol
Exact Mass378.20
IUPAC Name1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]-2-dimethoxyphosphorylethanone
SMILESCOP(=O)(CC(=O)C1CCC(CO[Si](C)(C)C(C)(C)C)CC1)OC
InChIInChI=1S/C17H35O5PSi/c1-17(2,3)24(6,7)22-12-14-8-10-15(11-9-14)16(18)13-23(19,20-4)21-5/h14-15H,8-13H2,1-7H3
InChIKeyOEQXVLKIFGGNNI-UHFFFAOYSA-N
XLogP4.87
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]-2-dimethoxyphosphorylethanone?
The IUPAC name of 1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]-2-dimethoxyphosphorylethanone (CID 131746645) is 1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]-2-dimethoxyphosphorylethanone.
What is the SMILES notation for 1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]-2-dimethoxyphosphorylethanone?
The canonical SMILES for 1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]-2-dimethoxyphosphorylethanone is COP(=O)(CC(=O)C1CCC(CO[Si](C)(C)C(C)(C)C)CC1)OC.
What is the InChIKey of 1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]-2-dimethoxyphosphorylethanone?
The InChIKey is OEQXVLKIFGGNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35O5PSi/c1-17(2,3)24(6,7)22-12-14-8-10-15(11-9-14)16(18)13-23(19,20-4)21-5/h14-15H,8-13H2,1-7H3.
What are the key properties of 1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]-2-dimethoxyphosphorylethanone?
1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]-2-dimethoxyphosphorylethanone has a molecular weight of 378.52 g/mol, XLogP of 4.87, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]-2-dimethoxyphosphorylethanone is sourced from PubChem (CID 131746645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).