tert-butyl N-[(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-hydroxypropan-2-yl]carbamate

C20H41NO4Si — CID 59382972

IUPACtert-butyl N-[(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-hydroxypropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](CO)CC1CCC(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C20H41NO4Si/c1-19(2,3)24-18(23)21-16(14-22)13-15-9-11-17(12-10-15)25-26(7,8)20(4,5)6/h15-17,22H,9-14H2,1-8H3,(H,21,23)/t15?,16-,17?/m0/s1
InChIKeyCFCDQKVCXJHGKA-CGZBRXJRSA-N
MW387.64 g/mol
LogP4.84
Rot. Bonds6

About tert-butyl N-[(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-hydroxypropan-2-yl]carbamate

tert-butyl N-[(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-hydroxypropan-2-yl]carbamate (PubChem CID 59382972) has the molecular formula C20H41NO4Si and a molecular weight of 387.64 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-hydroxypropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-hydroxypropan-2-yl]carbamate
PubChem CID59382972
Molecular FormulaC20H41NO4Si
Molecular Weight387.64 g/mol
Exact Mass387.28
IUPAC Nametert-butyl N-[(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-hydroxypropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](CO)CC1CCC(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C20H41NO4Si/c1-19(2,3)24-18(23)21-16(14-22)13-15-9-11-17(12-10-15)25-26(7,8)20(4,5)6/h15-17,22H,9-14H2,1-8H3,(H,21,23)/t15?,16-,17?/m0/s1
InChIKeyCFCDQKVCXJHGKA-CGZBRXJRSA-N
XLogP4.84
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.64
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-hydroxypropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-hydroxypropan-2-yl]carbamate (CID 59382972) is tert-butyl N-[(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-hydroxypropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-hydroxypropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-hydroxypropan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@H](CO)CC1CCC(O[Si](C)(C)C(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-hydroxypropan-2-yl]carbamate?
The InChIKey is CFCDQKVCXJHGKA-CGZBRXJRSA-N. The full InChI is InChI=1S/C20H41NO4Si/c1-19(2,3)24-18(23)21-16(14-22)13-15-9-11-17(12-10-15)25-26(7,8)20(4,5)6/h15-17,22H,9-14H2,1-8H3,(H,21,23)/t15?,16-,17?/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-hydroxypropan-2-yl]carbamate?
tert-butyl N-[(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-hydroxypropan-2-yl]carbamate has a molecular weight of 387.64 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-3-hydroxypropan-2-yl]carbamate is sourced from PubChem (CID 59382972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).