[(Z)-1-trimethylsilylbut-2-enyl] N,N-di(propan-2-yl)carbamate

C14H29NO2Si — CID 13329873

IUPAC[(Z)-1-trimethylsilylbut-2-enyl] N,N-di(propan-2-yl)carbamate
SMILESC/C=C\C(OC(=O)N(C(C)C)C(C)C)[Si](C)(C)C
InChIInChI=1S/C14H29NO2Si/c1-9-10-13(18(6,7)8)17-14(16)15(11(2)3)12(4)5/h9-13H,1-8H3/b10-9-
InChIKeyJKRQDBOARUMQMF-KTKRTIGZSA-N
MW271.48 g/mol
LogP4.06
Rot. Bonds5

About [(Z)-1-trimethylsilylbut-2-enyl] N,N-di(propan-2-yl)carbamate

[(Z)-1-trimethylsilylbut-2-enyl] N,N-di(propan-2-yl)carbamate (PubChem CID 13329873) has the molecular formula C14H29NO2Si and a molecular weight of 271.48 g/mol. Its IUPAC name is [(Z)-1-trimethylsilylbut-2-enyl] N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Name[(Z)-1-trimethylsilylbut-2-enyl] N,N-di(propan-2-yl)carbamate
PubChem CID13329873
Molecular FormulaC14H29NO2Si
Molecular Weight271.48 g/mol
Exact Mass271.20
IUPAC Name[(Z)-1-trimethylsilylbut-2-enyl] N,N-di(propan-2-yl)carbamate
SMILESC/C=C\C(OC(=O)N(C(C)C)C(C)C)[Si](C)(C)C
InChIInChI=1S/C14H29NO2Si/c1-9-10-13(18(6,7)8)17-14(16)15(11(2)3)12(4)5/h9-13H,1-8H3/b10-9-
InChIKeyJKRQDBOARUMQMF-KTKRTIGZSA-N
XLogP4.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.48
LogP ≤ 54.06
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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Related Compounds

Diethyl-carbamic acid but-2-enyl ester
CID 6018985
prop-2-enyl N,N-di(propan-2-yl)carbamate
CID 11275447
[(E)-but-2-enyl] N,N-di(propan-2-yl)carbamate
CID 10888910
lithium [(E)-but-2-enyl] N,N-di(propan-2-yl)carbamate
CID 12901922
3-methylbut-2-enyl N,N-di(propan-2-yl)carbamate
CID 12901923
But-2-en-1-yl dipropan-2-ylcarbamate
CID 71420949
lithium [(E)-3-trimethylsilylprop-2-enyl] N,N-di(propan-2-yl)carbamate
CID 134889525
[(E)-2-methylbut-2-enyl] N,N-di(propan-2-yl)carbamate
CID 135046717
[(E)-but-2-enyl] N,N-di(propan-2-yl)carbamate;trichlorotitanium(1+)
CID 135082536
2-Trimethylsilylethyl 2,5-dihydropyrrole-1-carboxylate
CID 154659998
Ethyl 2-trimethylsilyl-2,5-dihydropyrrole-1-carboxylate
CID 175157982
but-2-enyl N,N-diethylcarbamate
CID 4137562

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-trimethylsilylbut-2-enyl] N,N-di(propan-2-yl)carbamate?
The IUPAC name of [(Z)-1-trimethylsilylbut-2-enyl] N,N-di(propan-2-yl)carbamate (CID 13329873) is [(Z)-1-trimethylsilylbut-2-enyl] N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for [(Z)-1-trimethylsilylbut-2-enyl] N,N-di(propan-2-yl)carbamate?
The canonical SMILES for [(Z)-1-trimethylsilylbut-2-enyl] N,N-di(propan-2-yl)carbamate is C/C=C\C(OC(=O)N(C(C)C)C(C)C)[Si](C)(C)C.
What is the InChIKey of [(Z)-1-trimethylsilylbut-2-enyl] N,N-di(propan-2-yl)carbamate?
The InChIKey is JKRQDBOARUMQMF-KTKRTIGZSA-N. The full InChI is InChI=1S/C14H29NO2Si/c1-9-10-13(18(6,7)8)17-14(16)15(11(2)3)12(4)5/h9-13H,1-8H3/b10-9-.
What are the key properties of [(Z)-1-trimethylsilylbut-2-enyl] N,N-di(propan-2-yl)carbamate?
[(Z)-1-trimethylsilylbut-2-enyl] N,N-di(propan-2-yl)carbamate has a molecular weight of 271.48 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-trimethylsilylbut-2-enyl] N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 13329873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).