[(S)-1,4-dioxaspiro[4.4]non-8-en-9-yl(trimethylsilyl)methyl] N,N-di(propan-2-yl)carbamate

C18H33NO4Si — CID 10861187

IUPAC[(S)-1,4-dioxaspiro[4.4]non-8-en-9-yl(trimethylsilyl)methyl] N,N-di(propan-2-yl)carbamate
SMILESCC(C)N(C(=O)O[C@H](C1=CCCC12OCCO2)[Si](C)(C)C)C(C)C
InChIInChI=1S/C18H33NO4Si/c1-13(2)19(14(3)4)17(20)23-16(24(5,6)7)15-9-8-10-18(15)21-11-12-22-18/h9,13-14,16H,8,10-12H2,1-7H3/t16-/m0/s1
InChIKeyJLGLZCDWUCQGCB-INIZCTEOSA-N
MW355.55 g/mol
LogP3.95
Rot. Bonds5

About [(S)-1,4-dioxaspiro[4.4]non-8-en-9-yl(trimethylsilyl)methyl] N,N-di(propan-2-yl)carbamate

[(S)-1,4-dioxaspiro[4.4]non-8-en-9-yl(trimethylsilyl)methyl] N,N-di(propan-2-yl)carbamate (PubChem CID 10861187) has the molecular formula C18H33NO4Si and a molecular weight of 355.55 g/mol. Its IUPAC name is [(S)-1,4-dioxaspiro[4.4]non-8-en-9-yl(trimethylsilyl)methyl] N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Name[(S)-1,4-dioxaspiro[4.4]non-8-en-9-yl(trimethylsilyl)methyl] N,N-di(propan-2-yl)carbamate
PubChem CID10861187
Molecular FormulaC18H33NO4Si
Molecular Weight355.55 g/mol
Exact Mass355.22
IUPAC Name[(S)-1,4-dioxaspiro[4.4]non-8-en-9-yl(trimethylsilyl)methyl] N,N-di(propan-2-yl)carbamate
SMILESCC(C)N(C(=O)O[C@H](C1=CCCC12OCCO2)[Si](C)(C)C)C(C)C
InChIInChI=1S/C18H33NO4Si/c1-13(2)19(14(3)4)17(20)23-16(24(5,6)7)15-9-8-10-18(15)21-11-12-22-18/h9,13-14,16H,8,10-12H2,1-7H3/t16-/m0/s1
InChIKeyJLGLZCDWUCQGCB-INIZCTEOSA-N
XLogP3.95
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.55
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(S)-1,4-dioxaspiro[4.4]non-8-en-9-yl(trimethylsilyl)methyl] N,N-di(propan-2-yl)carbamate?
The IUPAC name of [(S)-1,4-dioxaspiro[4.4]non-8-en-9-yl(trimethylsilyl)methyl] N,N-di(propan-2-yl)carbamate (CID 10861187) is [(S)-1,4-dioxaspiro[4.4]non-8-en-9-yl(trimethylsilyl)methyl] N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for [(S)-1,4-dioxaspiro[4.4]non-8-en-9-yl(trimethylsilyl)methyl] N,N-di(propan-2-yl)carbamate?
The canonical SMILES for [(S)-1,4-dioxaspiro[4.4]non-8-en-9-yl(trimethylsilyl)methyl] N,N-di(propan-2-yl)carbamate is CC(C)N(C(=O)O[C@H](C1=CCCC12OCCO2)[Si](C)(C)C)C(C)C.
What is the InChIKey of [(S)-1,4-dioxaspiro[4.4]non-8-en-9-yl(trimethylsilyl)methyl] N,N-di(propan-2-yl)carbamate?
The InChIKey is JLGLZCDWUCQGCB-INIZCTEOSA-N. The full InChI is InChI=1S/C18H33NO4Si/c1-13(2)19(14(3)4)17(20)23-16(24(5,6)7)15-9-8-10-18(15)21-11-12-22-18/h9,13-14,16H,8,10-12H2,1-7H3/t16-/m0/s1.
What are the key properties of [(S)-1,4-dioxaspiro[4.4]non-8-en-9-yl(trimethylsilyl)methyl] N,N-di(propan-2-yl)carbamate?
[(S)-1,4-dioxaspiro[4.4]non-8-en-9-yl(trimethylsilyl)methyl] N,N-di(propan-2-yl)carbamate has a molecular weight of 355.55 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(S)-1,4-dioxaspiro[4.4]non-8-en-9-yl(trimethylsilyl)methyl] N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 10861187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).