[(R)-[(1E)-2-methylcycloocten-1-yl]-trimethylsilylmethyl] N,N-di(propan-2-yl)carbamate

C20H39NO2Si — CID 102020945

IUPAC[(R)-[(1E)-2-methylcycloocten-1-yl]-trimethylsilylmethyl] N,N-di(propan-2-yl)carbamate
SMILESC/C1=C(\[C@H](OC(=O)N(C(C)C)C(C)C)[Si](C)(C)C)CCCCCC1
InChIInChI=1S/C20H39NO2Si/c1-15(2)21(16(3)4)20(22)23-19(24(6,7)8)18-14-12-10-9-11-13-17(18)5/h15-16,19H,9-14H2,1-8H3/b18-17+/t19-/m1/s1
InChIKeyCCBUHJBCKOPSIM-ZELAZJAISA-N
MW353.62 g/mol
LogP6.16
Rot. Bonds5

About [(R)-[(1E)-2-methylcycloocten-1-yl]-trimethylsilylmethyl] N,N-di(propan-2-yl)carbamate

[(R)-[(1E)-2-methylcycloocten-1-yl]-trimethylsilylmethyl] N,N-di(propan-2-yl)carbamate (PubChem CID 102020945) has the molecular formula C20H39NO2Si and a molecular weight of 353.62 g/mol. Its IUPAC name is [(R)-[(1E)-2-methylcycloocten-1-yl]-trimethylsilylmethyl] N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Name[(R)-[(1E)-2-methylcycloocten-1-yl]-trimethylsilylmethyl] N,N-di(propan-2-yl)carbamate
PubChem CID102020945
Molecular FormulaC20H39NO2Si
Molecular Weight353.62 g/mol
Exact Mass353.28
IUPAC Name[(R)-[(1E)-2-methylcycloocten-1-yl]-trimethylsilylmethyl] N,N-di(propan-2-yl)carbamate
SMILESC/C1=C(\[C@H](OC(=O)N(C(C)C)C(C)C)[Si](C)(C)C)CCCCCC1
InChIInChI=1S/C20H39NO2Si/c1-15(2)21(16(3)4)20(22)23-19(24(6,7)8)18-14-12-10-9-11-13-17(18)5/h15-16,19H,9-14H2,1-8H3/b18-17+/t19-/m1/s1
InChIKeyCCBUHJBCKOPSIM-ZELAZJAISA-N
XLogP6.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.62
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 [(R)-[(1E)-2-methylcycloocten-1-yl]-trimethylsilylmethyl] N,N-di(propan-2-yl)carbamate?
The IUPAC name of [(R)-[(1E)-2-methylcycloocten-1-yl]-trimethylsilylmethyl] N,N-di(propan-2-yl)carbamate (CID 102020945) is [(R)-[(1E)-2-methylcycloocten-1-yl]-trimethylsilylmethyl] N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for [(R)-[(1E)-2-methylcycloocten-1-yl]-trimethylsilylmethyl] N,N-di(propan-2-yl)carbamate?
The canonical SMILES for [(R)-[(1E)-2-methylcycloocten-1-yl]-trimethylsilylmethyl] N,N-di(propan-2-yl)carbamate is C/C1=C(\[C@H](OC(=O)N(C(C)C)C(C)C)[Si](C)(C)C)CCCCCC1.
What is the InChIKey of [(R)-[(1E)-2-methylcycloocten-1-yl]-trimethylsilylmethyl] N,N-di(propan-2-yl)carbamate?
The InChIKey is CCBUHJBCKOPSIM-ZELAZJAISA-N. The full InChI is InChI=1S/C20H39NO2Si/c1-15(2)21(16(3)4)20(22)23-19(24(6,7)8)18-14-12-10-9-11-13-17(18)5/h15-16,19H,9-14H2,1-8H3/b18-17+/t19-/m1/s1.
What are the key properties of [(R)-[(1E)-2-methylcycloocten-1-yl]-trimethylsilylmethyl] N,N-di(propan-2-yl)carbamate?
[(R)-[(1E)-2-methylcycloocten-1-yl]-trimethylsilylmethyl] N,N-di(propan-2-yl)carbamate has a molecular weight of 353.62 g/mol, XLogP of 6.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(R)-[(1E)-2-methylcycloocten-1-yl]-trimethylsilylmethyl] N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 102020945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).