2-hydroxyethyl N-[[2-hydroxyethoxycarbonyl-[3-(2,4,4,6-tetramethyl-1,3-dioxan-2-yl)propyl]amino]methyl]-N-[3-(2,4,4,6-tetramethyl-1,3,2-dioxasilinan-2-yl)propyl]carbamate

C28H54N2O10Si — CID 69100995

IUPAC2-hydroxyethyl N-[[2-hydroxyethoxycarbonyl-[3-(2,4,4,6-tetramethyl-1,3-dioxan-2-yl)propyl]amino]methyl]-N-[3-(2,4,4,6-tetramethyl-1,3,2-dioxasilinan-2-yl)propyl]carbamate
SMILESCC1CC(C)(C)OC(C)(CCCN(CN(CCC[Si]2(C)OC(C)CC(C)(C)O2)C(=O)OCCO)C(=O)OCCO)O1
InChIInChI=1S/C28H54N2O10Si/c1-22-19-26(3,4)39-28(7,37-22)11-9-12-29(24(33)35-16-14-31)21-30(25(34)36-17-15-32)13-10-18-41(8)38-23(2)20-27(5,6)40-41/h22-23,31-32H,9-21H2,1-8H3
InChIKeyKLLJCPRNRHUYSE-UHFFFAOYSA-N
MW606.83 g/mol
LogP3.97
Rot. Bonds14

About 2-hydroxyethyl N-[[2-hydroxyethoxycarbonyl-[3-(2,4,4,6-tetramethyl-1,3-dioxan-2-yl)propyl]amino]methyl]-N-[3-(2,4,4,6-tetramethyl-1,3,2-dioxasilinan-2-yl)propyl]carbamate

2-hydroxyethyl N-[[2-hydroxyethoxycarbonyl-[3-(2,4,4,6-tetramethyl-1,3-dioxan-2-yl)propyl]amino]methyl]-N-[3-(2,4,4,6-tetramethyl-1,3,2-dioxasilinan-2-yl)propyl]carbamate (PubChem CID 69100995) has the molecular formula C28H54N2O10Si and a molecular weight of 606.83 g/mol. Its IUPAC name is 2-hydroxyethyl N-[[2-hydroxyethoxycarbonyl-[3-(2,4,4,6-tetramethyl-1,3-dioxan-2-yl)propyl]amino]methyl]-N-[3-(2,4,4,6-tetramethyl-1,3,2-dioxasilinan-2-yl)propyl]carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-[[2-hydroxyethoxycarbonyl-[3-(2,4,4,6-tetramethyl-1,3-dioxan-2-yl)propyl]amino]methyl]-N-[3-(2,4,4,6-tetramethyl-1,3,2-dioxasilinan-2-yl)propyl]carbamate
PubChem CID69100995
Molecular FormulaC28H54N2O10Si
Molecular Weight606.83 g/mol
Exact Mass606.35
IUPAC Name2-hydroxyethyl N-[[2-hydroxyethoxycarbonyl-[3-(2,4,4,6-tetramethyl-1,3-dioxan-2-yl)propyl]amino]methyl]-N-[3-(2,4,4,6-tetramethyl-1,3,2-dioxasilinan-2-yl)propyl]carbamate
SMILESCC1CC(C)(C)OC(C)(CCCN(CN(CCC[Si]2(C)OC(C)CC(C)(C)O2)C(=O)OCCO)C(=O)OCCO)O1
InChIInChI=1S/C28H54N2O10Si/c1-22-19-26(3,4)39-28(7,37-22)11-9-12-29(24(33)35-16-14-31)21-30(25(34)36-17-15-32)13-10-18-41(8)38-23(2)20-27(5,6)40-41/h22-23,31-32H,9-21H2,1-8H3
InChIKeyKLLJCPRNRHUYSE-UHFFFAOYSA-N
XLogP3.97
TPSA136.46 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500606.83
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-hydroxyethyl N-[[2-hydroxyethoxycarbonyl-[3-(2,4,4,6-tetramethyl-1,3-dioxan-2-yl)propyl]amino]methyl]-N-[3-(2,4,4,6-tetramethyl-1,3,2-dioxasilinan-2-yl)propyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-[[2-hydroxyethoxycarbonyl-[3-(2,4,4,6-tetramethyl-1,3-dioxan-2-yl)propyl]amino]methyl]-N-[3-(2,4,4,6-tetramethyl-1,3,2-dioxasilinan-2-yl)propyl]carbamate?
The IUPAC name of 2-hydroxyethyl N-[[2-hydroxyethoxycarbonyl-[3-(2,4,4,6-tetramethyl-1,3-dioxan-2-yl)propyl]amino]methyl]-N-[3-(2,4,4,6-tetramethyl-1,3,2-dioxasilinan-2-yl)propyl]carbamate (CID 69100995) is 2-hydroxyethyl N-[[2-hydroxyethoxycarbonyl-[3-(2,4,4,6-tetramethyl-1,3-dioxan-2-yl)propyl]amino]methyl]-N-[3-(2,4,4,6-tetramethyl-1,3,2-dioxasilinan-2-yl)propyl]carbamate.
What is the SMILES notation for 2-hydroxyethyl N-[[2-hydroxyethoxycarbonyl-[3-(2,4,4,6-tetramethyl-1,3-dioxan-2-yl)propyl]amino]methyl]-N-[3-(2,4,4,6-tetramethyl-1,3,2-dioxasilinan-2-yl)propyl]carbamate?
The canonical SMILES for 2-hydroxyethyl N-[[2-hydroxyethoxycarbonyl-[3-(2,4,4,6-tetramethyl-1,3-dioxan-2-yl)propyl]amino]methyl]-N-[3-(2,4,4,6-tetramethyl-1,3,2-dioxasilinan-2-yl)propyl]carbamate is CC1CC(C)(C)OC(C)(CCCN(CN(CCC[Si]2(C)OC(C)CC(C)(C)O2)C(=O)OCCO)C(=O)OCCO)O1.
What is the InChIKey of 2-hydroxyethyl N-[[2-hydroxyethoxycarbonyl-[3-(2,4,4,6-tetramethyl-1,3-dioxan-2-yl)propyl]amino]methyl]-N-[3-(2,4,4,6-tetramethyl-1,3,2-dioxasilinan-2-yl)propyl]carbamate?
The InChIKey is KLLJCPRNRHUYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H54N2O10Si/c1-22-19-26(3,4)39-28(7,37-22)11-9-12-29(24(33)35-16-14-31)21-30(25(34)36-17-15-32)13-10-18-41(8)38-23(2)20-27(5,6)40-41/h22-23,31-32H,9-21H2,1-8H3.
What are the key properties of 2-hydroxyethyl N-[[2-hydroxyethoxycarbonyl-[3-(2,4,4,6-tetramethyl-1,3-dioxan-2-yl)propyl]amino]methyl]-N-[3-(2,4,4,6-tetramethyl-1,3,2-dioxasilinan-2-yl)propyl]carbamate?
2-hydroxyethyl N-[[2-hydroxyethoxycarbonyl-[3-(2,4,4,6-tetramethyl-1,3-dioxan-2-yl)propyl]amino]methyl]-N-[3-(2,4,4,6-tetramethyl-1,3,2-dioxasilinan-2-yl)propyl]carbamate has a molecular weight of 606.83 g/mol, XLogP of 3.97, 14 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-[[2-hydroxyethoxycarbonyl-[3-(2,4,4,6-tetramethyl-1,3-dioxan-2-yl)propyl]amino]methyl]-N-[3-(2,4,4,6-tetramethyl-1,3,2-dioxasilinan-2-yl)propyl]carbamate is sourced from PubChem (CID 69100995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).