tert-butyl N-(5-methylhex-1-enyl)carbamate

C12H23NO2 — CID 54088816

IUPACtert-butyl N-(5-methylhex-1-enyl)carbamate
SMILESCC(C)CCC=CNC(=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)
InChIKeyMSKKZOFYKNPCPM-UHFFFAOYSA-N
MW213.32 g/mol
LogP3.46
Rot. Bonds4

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

tert-butyl N-(5-methylhex-1-enyl)carbamate (PubChem CID 54088816) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is tert-butyl N-(5-methylhex-1-enyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-methylhex-1-enyl)carbamate
PubChem CID54088816
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Nametert-butyl N-(5-methylhex-1-enyl)carbamate
SMILESCC(C)CCC=CNC(=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)
InChIKeyMSKKZOFYKNPCPM-UHFFFAOYSA-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-(5-methylhex-1-enyl)carbamate?
The IUPAC name of tert-butyl N-(5-methylhex-1-enyl)carbamate (CID 54088816) is tert-butyl N-(5-methylhex-1-enyl)carbamate.
What is the SMILES notation for tert-butyl N-(5-methylhex-1-enyl)carbamate?
The canonical SMILES for tert-butyl N-(5-methylhex-1-enyl)carbamate is CC(C)CCC=CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(5-methylhex-1-enyl)carbamate?
The InChIKey is MSKKZOFYKNPCPM-UHFFFAOYSA-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).
What are the key properties of tert-butyl N-(5-methylhex-1-enyl)carbamate?
tert-butyl N-(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-(5-methylhex-1-enyl)carbamate is sourced from PubChem (CID 54088816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).