2-[[2-[4-[2-(1,4-dioxan-2-ylmethoxy)ethoxy]cyclohexyl]pyrimidin-4-yl]methoxymethoxy]ethyl-trimethylsilane

C24H42N2O6Si — CID 154608308

IUPAC2-[[2-[4-[2-(1,4-dioxan-2-ylmethoxy)ethoxy]cyclohexyl]pyrimidin-4-yl]methoxymethoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCOCc1ccnc(C2CCC(OCCOCC3COCCO3)CC2)n1
InChIInChI=1S/C24H42N2O6Si/c1-33(2,3)15-14-29-19-30-16-21-8-9-25-24(26-21)20-4-6-22(7-5-20)31-12-10-27-17-23-18-28-11-13-32-23/h8-9,20,22-23H,4-7,10-19H2,1-3H3
InChIKeyBAWNSRVRVJHVCO-UHFFFAOYSA-N
MW482.69 g/mol
LogP3.78
Rot. Bonds14

About 2-[[2-[4-[2-(1,4-dioxan-2-ylmethoxy)ethoxy]cyclohexyl]pyrimidin-4-yl]methoxymethoxy]ethyl-trimethylsilane

2-[[2-[4-[2-(1,4-dioxan-2-ylmethoxy)ethoxy]cyclohexyl]pyrimidin-4-yl]methoxymethoxy]ethyl-trimethylsilane (PubChem CID 154608308) has the molecular formula C24H42N2O6Si and a molecular weight of 482.69 g/mol. Its IUPAC name is 2-[[2-[4-[2-(1,4-dioxan-2-ylmethoxy)ethoxy]cyclohexyl]pyrimidin-4-yl]methoxymethoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[2-[4-[2-(1,4-dioxan-2-ylmethoxy)ethoxy]cyclohexyl]pyrimidin-4-yl]methoxymethoxy]ethyl-trimethylsilane
PubChem CID154608308
Molecular FormulaC24H42N2O6Si
Molecular Weight482.69 g/mol
Exact Mass482.28
IUPAC Name2-[[2-[4-[2-(1,4-dioxan-2-ylmethoxy)ethoxy]cyclohexyl]pyrimidin-4-yl]methoxymethoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCOCc1ccnc(C2CCC(OCCOCC3COCCO3)CC2)n1
InChIInChI=1S/C24H42N2O6Si/c1-33(2,3)15-14-29-19-30-16-21-8-9-25-24(26-21)20-4-6-22(7-5-20)31-12-10-27-17-23-18-28-11-13-32-23/h8-9,20,22-23H,4-7,10-19H2,1-3H3
InChIKeyBAWNSRVRVJHVCO-UHFFFAOYSA-N
XLogP3.78
TPSA81.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.69
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-[2-(1,4-dioxan-2-ylmethoxy)ethoxy]cyclohexyl]pyrimidin-4-yl]methoxymethoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[2-[4-[2-(1,4-dioxan-2-ylmethoxy)ethoxy]cyclohexyl]pyrimidin-4-yl]methoxymethoxy]ethyl-trimethylsilane (CID 154608308) is 2-[[2-[4-[2-(1,4-dioxan-2-ylmethoxy)ethoxy]cyclohexyl]pyrimidin-4-yl]methoxymethoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[2-[4-[2-(1,4-dioxan-2-ylmethoxy)ethoxy]cyclohexyl]pyrimidin-4-yl]methoxymethoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[2-[4-[2-(1,4-dioxan-2-ylmethoxy)ethoxy]cyclohexyl]pyrimidin-4-yl]methoxymethoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCOCc1ccnc(C2CCC(OCCOCC3COCCO3)CC2)n1.
What is the InChIKey of 2-[[2-[4-[2-(1,4-dioxan-2-ylmethoxy)ethoxy]cyclohexyl]pyrimidin-4-yl]methoxymethoxy]ethyl-trimethylsilane?
The InChIKey is BAWNSRVRVJHVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N2O6Si/c1-33(2,3)15-14-29-19-30-16-21-8-9-25-24(26-21)20-4-6-22(7-5-20)31-12-10-27-17-23-18-28-11-13-32-23/h8-9,20,22-23H,4-7,10-19H2,1-3H3.
What are the key properties of 2-[[2-[4-[2-(1,4-dioxan-2-ylmethoxy)ethoxy]cyclohexyl]pyrimidin-4-yl]methoxymethoxy]ethyl-trimethylsilane?
2-[[2-[4-[2-(1,4-dioxan-2-ylmethoxy)ethoxy]cyclohexyl]pyrimidin-4-yl]methoxymethoxy]ethyl-trimethylsilane has a molecular weight of 482.69 g/mol, XLogP of 3.78, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-[2-(1,4-dioxan-2-ylmethoxy)ethoxy]cyclohexyl]pyrimidin-4-yl]methoxymethoxy]ethyl-trimethylsilane is sourced from PubChem (CID 154608308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).