N-[(3aS,4S,5R,6R,6aS)-6-hydroxy-4-triethylsilyloxyspiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane]-5-yl]acetamide

C19H35NO5Si — CID 11717977

IUPACN-[(3aS,4S,5R,6R,6aS)-6-hydroxy-4-triethylsilyloxyspiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane]-5-yl]acetamide
SMILESCC[Si](CC)(CC)O[C@H]1[C@H](NC(C)=O)[C@@H](O)[C@@H]2OC3(CCCCC3)O[C@@H]21
InChIInChI=1S/C19H35NO5Si/c1-5-26(6-2,7-3)25-16-14(20-13(4)21)15(22)17-18(16)24-19(23-17)11-9-8-10-12-19/h14-18,22H,5-12H2,1-4H3,(H,20,21)/t14-,15-,16+,17+,18-/m1/s1
InChIKeyZAOFDSPSPIKSPJ-DFBDCSAJSA-N
MW385.58 g/mol
LogP2.70
Rot. Bonds6

About N-[(3aS,4S,5R,6R,6aS)-6-hydroxy-4-triethylsilyloxyspiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane]-5-yl]acetamide

N-[(3aS,4S,5R,6R,6aS)-6-hydroxy-4-triethylsilyloxyspiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane]-5-yl]acetamide (PubChem CID 11717977) has the molecular formula C19H35NO5Si and a molecular weight of 385.58 g/mol. Its IUPAC name is N-[(3aS,4S,5R,6R,6aS)-6-hydroxy-4-triethylsilyloxyspiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane]-5-yl]acetamide.

Molecular Properties

Compound NameN-[(3aS,4S,5R,6R,6aS)-6-hydroxy-4-triethylsilyloxyspiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane]-5-yl]acetamide
PubChem CID11717977
Molecular FormulaC19H35NO5Si
Molecular Weight385.58 g/mol
Exact Mass385.23
IUPAC NameN-[(3aS,4S,5R,6R,6aS)-6-hydroxy-4-triethylsilyloxyspiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane]-5-yl]acetamide
SMILESCC[Si](CC)(CC)O[C@H]1[C@H](NC(C)=O)[C@@H](O)[C@@H]2OC3(CCCCC3)O[C@@H]21
InChIInChI=1S/C19H35NO5Si/c1-5-26(6-2,7-3)25-16-14(20-13(4)21)15(22)17-18(16)24-19(23-17)11-9-8-10-12-19/h14-18,22H,5-12H2,1-4H3,(H,20,21)/t14-,15-,16+,17+,18-/m1/s1
InChIKeyZAOFDSPSPIKSPJ-DFBDCSAJSA-N
XLogP2.70
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.58
LogP ≤ 52.70
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 N-[(3aS,4S,5R,6R,6aS)-6-hydroxy-4-triethylsilyloxyspiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane]-5-yl]acetamide?
The IUPAC name of N-[(3aS,4S,5R,6R,6aS)-6-hydroxy-4-triethylsilyloxyspiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane]-5-yl]acetamide (CID 11717977) is N-[(3aS,4S,5R,6R,6aS)-6-hydroxy-4-triethylsilyloxyspiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane]-5-yl]acetamide.
What is the SMILES notation for N-[(3aS,4S,5R,6R,6aS)-6-hydroxy-4-triethylsilyloxyspiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane]-5-yl]acetamide?
The canonical SMILES for N-[(3aS,4S,5R,6R,6aS)-6-hydroxy-4-triethylsilyloxyspiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane]-5-yl]acetamide is CC[Si](CC)(CC)O[C@H]1[C@H](NC(C)=O)[C@@H](O)[C@@H]2OC3(CCCCC3)O[C@@H]21.
What is the InChIKey of N-[(3aS,4S,5R,6R,6aS)-6-hydroxy-4-triethylsilyloxyspiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane]-5-yl]acetamide?
The InChIKey is ZAOFDSPSPIKSPJ-DFBDCSAJSA-N. The full InChI is InChI=1S/C19H35NO5Si/c1-5-26(6-2,7-3)25-16-14(20-13(4)21)15(22)17-18(16)24-19(23-17)11-9-8-10-12-19/h14-18,22H,5-12H2,1-4H3,(H,20,21)/t14-,15-,16+,17+,18-/m1/s1.
What are the key properties of N-[(3aS,4S,5R,6R,6aS)-6-hydroxy-4-triethylsilyloxyspiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane]-5-yl]acetamide?
N-[(3aS,4S,5R,6R,6aS)-6-hydroxy-4-triethylsilyloxyspiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane]-5-yl]acetamide has a molecular weight of 385.58 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3aS,4S,5R,6R,6aS)-6-hydroxy-4-triethylsilyloxyspiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane]-5-yl]acetamide is sourced from PubChem (CID 11717977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).