[(E)-2,5-dimethyl-4-trimethylsilyloxynon-4-en-3-yl] N,N-di(propan-2-yl)carbamate

C21H43NO3Si — CID 132534349

IUPAC[(E)-2,5-dimethyl-4-trimethylsilyloxynon-4-en-3-yl] N,N-di(propan-2-yl)carbamate
SMILESCCCC/C(C)=C(/O[Si](C)(C)C)C(OC(=O)N(C(C)C)C(C)C)C(C)C
InChIInChI=1S/C21H43NO3Si/c1-12-13-14-18(8)20(25-26(9,10)11)19(15(2)3)24-21(23)22(16(4)5)17(6)7/h15-17,19H,12-14H2,1-11H3/b20-18+
InChIKeyLRQOREBQEPSSPJ-CZIZESTLSA-N
MW385.67 g/mol
LogP6.58
Rot. Bonds10

About [(E)-2,5-dimethyl-4-trimethylsilyloxynon-4-en-3-yl] N,N-di(propan-2-yl)carbamate

[(E)-2,5-dimethyl-4-trimethylsilyloxynon-4-en-3-yl] N,N-di(propan-2-yl)carbamate (PubChem CID 132534349) has the molecular formula C21H43NO3Si and a molecular weight of 385.67 g/mol. Its IUPAC name is [(E)-2,5-dimethyl-4-trimethylsilyloxynon-4-en-3-yl] N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Name[(E)-2,5-dimethyl-4-trimethylsilyloxynon-4-en-3-yl] N,N-di(propan-2-yl)carbamate
PubChem CID132534349
Molecular FormulaC21H43NO3Si
Molecular Weight385.67 g/mol
Exact Mass385.30
IUPAC Name[(E)-2,5-dimethyl-4-trimethylsilyloxynon-4-en-3-yl] N,N-di(propan-2-yl)carbamate
SMILESCCCC/C(C)=C(/O[Si](C)(C)C)C(OC(=O)N(C(C)C)C(C)C)C(C)C
InChIInChI=1S/C21H43NO3Si/c1-12-13-14-18(8)20(25-26(9,10)11)19(15(2)3)24-21(23)22(16(4)5)17(6)7/h15-17,19H,12-14H2,1-11H3/b20-18+
InChIKeyLRQOREBQEPSSPJ-CZIZESTLSA-N
XLogP6.58
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.67
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[(Z,3R)-4-hydroxy-2,5-dimethylhept-4-en-3-yl] N,N-di(propan-2-yl)carbamate
CID 132534346
[(3S)-2-methyl-4-methylideneoctan-3-yl] acetate
CID 135054062
trimethylsilyl 2-oxopentanoate
CID 530075
trimethylsilyl N,N-dibutylcarbamate
CID 13183036
carbonic acid;2,3-dimethylhept-2-ene
CID 159232241
trimethylsilyl icosanoate
CID 521648
[(1S)-4-oxo-1-tributylstannylbutyl] N,N-di(propan-2-yl)carbamate
CID 134876140
trimethylsilyl 8-methyltetradecanoate
CID 526098
trimethylsilyl 10-methyltricosanoate
CID 91747658
2,3-dimethylhept-2-ene;ethane;2-methylbutane
CID 163368789
9,10-dimethylundec-9-en-5-one
CID 140691978
[dimethyl(propan-2-yl)silyl] hexadecanoate
CID 628588

Frequently Asked Questions

What is the IUPAC name of [(E)-2,5-dimethyl-4-trimethylsilyloxynon-4-en-3-yl] N,N-di(propan-2-yl)carbamate?
The IUPAC name of [(E)-2,5-dimethyl-4-trimethylsilyloxynon-4-en-3-yl] N,N-di(propan-2-yl)carbamate (CID 132534349) is [(E)-2,5-dimethyl-4-trimethylsilyloxynon-4-en-3-yl] N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for [(E)-2,5-dimethyl-4-trimethylsilyloxynon-4-en-3-yl] N,N-di(propan-2-yl)carbamate?
The canonical SMILES for [(E)-2,5-dimethyl-4-trimethylsilyloxynon-4-en-3-yl] N,N-di(propan-2-yl)carbamate is CCCC/C(C)=C(/O[Si](C)(C)C)C(OC(=O)N(C(C)C)C(C)C)C(C)C.
What is the InChIKey of [(E)-2,5-dimethyl-4-trimethylsilyloxynon-4-en-3-yl] N,N-di(propan-2-yl)carbamate?
The InChIKey is LRQOREBQEPSSPJ-CZIZESTLSA-N. The full InChI is InChI=1S/C21H43NO3Si/c1-12-13-14-18(8)20(25-26(9,10)11)19(15(2)3)24-21(23)22(16(4)5)17(6)7/h15-17,19H,12-14H2,1-11H3/b20-18+.
What are the key properties of [(E)-2,5-dimethyl-4-trimethylsilyloxynon-4-en-3-yl] N,N-di(propan-2-yl)carbamate?
[(E)-2,5-dimethyl-4-trimethylsilyloxynon-4-en-3-yl] N,N-di(propan-2-yl)carbamate has a molecular weight of 385.67 g/mol, XLogP of 6.58, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2,5-dimethyl-4-trimethylsilyloxynon-4-en-3-yl] N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 132534349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).