tert-butyl N-[2,2-ditert-butyl-5-[2-(4-hydroxyphenyl)ethyl]-1,3,2-dioxasilinan-5-yl]carbamate

C24H41NO5Si — CID 23400757

IUPACtert-butyl N-[2,2-ditert-butyl-5-[2-(4-hydroxyphenyl)ethyl]-1,3,2-dioxasilinan-5-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1(CCc2ccc(O)cc2)CO[Si](C(C)(C)C)(C(C)(C)C)OC1
InChIInChI=1S/C24H41NO5Si/c1-21(2,3)30-20(27)25-24(15-14-18-10-12-19(26)13-11-18)16-28-31(29-17-24,22(4,5)6)23(7,8)9/h10-13,26H,14-17H2,1-9H3,(H,25,27)
InChIKeyGFDOTNSGGMEVHL-UHFFFAOYSA-N
MW451.68 g/mol
LogP5.68
Rot. Bonds4

About tert-butyl N-[2,2-ditert-butyl-5-[2-(4-hydroxyphenyl)ethyl]-1,3,2-dioxasilinan-5-yl]carbamate

tert-butyl N-[2,2-ditert-butyl-5-[2-(4-hydroxyphenyl)ethyl]-1,3,2-dioxasilinan-5-yl]carbamate (PubChem CID 23400757) has the molecular formula C24H41NO5Si and a molecular weight of 451.68 g/mol. Its IUPAC name is tert-butyl N-[2,2-ditert-butyl-5-[2-(4-hydroxyphenyl)ethyl]-1,3,2-dioxasilinan-5-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2,2-ditert-butyl-5-[2-(4-hydroxyphenyl)ethyl]-1,3,2-dioxasilinan-5-yl]carbamate
PubChem CID23400757
Molecular FormulaC24H41NO5Si
Molecular Weight451.68 g/mol
Exact Mass451.28
IUPAC Nametert-butyl N-[2,2-ditert-butyl-5-[2-(4-hydroxyphenyl)ethyl]-1,3,2-dioxasilinan-5-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1(CCc2ccc(O)cc2)CO[Si](C(C)(C)C)(C(C)(C)C)OC1
InChIInChI=1S/C24H41NO5Si/c1-21(2,3)30-20(27)25-24(15-14-18-10-12-19(26)13-11-18)16-28-31(29-17-24,22(4,5)6)23(7,8)9/h10-13,26H,14-17H2,1-9H3,(H,25,27)
InChIKeyGFDOTNSGGMEVHL-UHFFFAOYSA-N
XLogP5.68
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.68
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2,2-ditert-butyl-5-[2-(4-hydroxyphenyl)ethyl]-1,3,2-dioxasilinan-5-yl]carbamate?
The IUPAC name of tert-butyl N-[2,2-ditert-butyl-5-[2-(4-hydroxyphenyl)ethyl]-1,3,2-dioxasilinan-5-yl]carbamate (CID 23400757) is tert-butyl N-[2,2-ditert-butyl-5-[2-(4-hydroxyphenyl)ethyl]-1,3,2-dioxasilinan-5-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2,2-ditert-butyl-5-[2-(4-hydroxyphenyl)ethyl]-1,3,2-dioxasilinan-5-yl]carbamate?
The canonical SMILES for tert-butyl N-[2,2-ditert-butyl-5-[2-(4-hydroxyphenyl)ethyl]-1,3,2-dioxasilinan-5-yl]carbamate is CC(C)(C)OC(=O)NC1(CCc2ccc(O)cc2)CO[Si](C(C)(C)C)(C(C)(C)C)OC1.
What is the InChIKey of tert-butyl N-[2,2-ditert-butyl-5-[2-(4-hydroxyphenyl)ethyl]-1,3,2-dioxasilinan-5-yl]carbamate?
The InChIKey is GFDOTNSGGMEVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41NO5Si/c1-21(2,3)30-20(27)25-24(15-14-18-10-12-19(26)13-11-18)16-28-31(29-17-24,22(4,5)6)23(7,8)9/h10-13,26H,14-17H2,1-9H3,(H,25,27).
What are the key properties of tert-butyl N-[2,2-ditert-butyl-5-[2-(4-hydroxyphenyl)ethyl]-1,3,2-dioxasilinan-5-yl]carbamate?
tert-butyl N-[2,2-ditert-butyl-5-[2-(4-hydroxyphenyl)ethyl]-1,3,2-dioxasilinan-5-yl]carbamate has a molecular weight of 451.68 g/mol, XLogP of 5.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2,2-ditert-butyl-5-[2-(4-hydroxyphenyl)ethyl]-1,3,2-dioxasilinan-5-yl]carbamate is sourced from PubChem (CID 23400757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).