tert-butyl N-[(E)-5-methylhex-1-enyl]carbamate

C12H23NO2 — CID 19991447

IUPACtert-butyl N-[(E)-5-methylhex-1-enyl]carbamate
SMILESCC(C)CC/C=C/NC(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO2/c1-10(2)8-6-7-9-13-11(14)15-12(3,4)5/h7,9-10H,6,8H2,1-5H3,(H,13,14)/b9-7+
InChIKeyMSKKZOFYKNPCPM-VQHVLOKHSA-N
MW213.32 g/mol
LogP3.46
Rot. Bonds4

About tert-butyl N-[(E)-5-methylhex-1-enyl]carbamate

tert-butyl N-[(E)-5-methylhex-1-enyl]carbamate (PubChem CID 19991447) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is tert-butyl N-[(E)-5-methylhex-1-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(E)-5-methylhex-1-enyl]carbamate
PubChem CID19991447
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Nametert-butyl N-[(E)-5-methylhex-1-enyl]carbamate
SMILESCC(C)CC/C=C/NC(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO2/c1-10(2)8-6-7-9-13-11(14)15-12(3,4)5/h7,9-10H,6,8H2,1-5H3,(H,13,14)/b9-7+
InChIKeyMSKKZOFYKNPCPM-VQHVLOKHSA-N
XLogP3.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(E)-5-methylhex-1-enyl]carbamate?
The IUPAC name of tert-butyl N-[(E)-5-methylhex-1-enyl]carbamate (CID 19991447) is tert-butyl N-[(E)-5-methylhex-1-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[(E)-5-methylhex-1-enyl]carbamate?
The canonical SMILES for tert-butyl N-[(E)-5-methylhex-1-enyl]carbamate is CC(C)CC/C=C/NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(E)-5-methylhex-1-enyl]carbamate?
The InChIKey is MSKKZOFYKNPCPM-VQHVLOKHSA-N. The full InChI is InChI=1S/C12H23NO2/c1-10(2)8-6-7-9-13-11(14)15-12(3,4)5/h7,9-10H,6,8H2,1-5H3,(H,13,14)/b9-7+.
What are the key properties of tert-butyl N-[(E)-5-methylhex-1-enyl]carbamate?
tert-butyl N-[(E)-5-methylhex-1-enyl]carbamate has a molecular weight of 213.32 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(E)-5-methylhex-1-enyl]carbamate is sourced from PubChem (CID 19991447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).