tert-butyl N-(4-methyl-1-prop-2-enoxypentan-2-yl)carbamate

C14H27NO3 — CID 15527384

IUPACtert-butyl N-(4-methyl-1-prop-2-enoxypentan-2-yl)carbamate
SMILESC=CCOCC(CC(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H27NO3/c1-7-8-17-10-12(9-11(2)3)15-13(16)18-14(4,5)6/h7,11-12H,1,8-10H2,2-6H3,(H,15,16)
InChIKeyFIGAYQVKYOZCNY-UHFFFAOYSA-N
MW257.37 g/mol
LogP3.13
Rot. Bonds7

About tert-butyl N-(4-methyl-1-prop-2-enoxypentan-2-yl)carbamate

tert-butyl N-(4-methyl-1-prop-2-enoxypentan-2-yl)carbamate (PubChem CID 15527384) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is tert-butyl N-(4-methyl-1-prop-2-enoxypentan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-methyl-1-prop-2-enoxypentan-2-yl)carbamate
PubChem CID15527384
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Nametert-butyl N-(4-methyl-1-prop-2-enoxypentan-2-yl)carbamate
SMILESC=CCOCC(CC(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H27NO3/c1-7-8-17-10-12(9-11(2)3)15-13(16)18-14(4,5)6/h7,11-12H,1,8-10H2,2-6H3,(H,15,16)
InChIKeyFIGAYQVKYOZCNY-UHFFFAOYSA-N
XLogP3.13
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-methyl-1-prop-2-enoxypentan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(4-methyl-1-prop-2-enoxypentan-2-yl)carbamate (CID 15527384) is tert-butyl N-(4-methyl-1-prop-2-enoxypentan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4-methyl-1-prop-2-enoxypentan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(4-methyl-1-prop-2-enoxypentan-2-yl)carbamate is C=CCOCC(CC(C)C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(4-methyl-1-prop-2-enoxypentan-2-yl)carbamate?
The InChIKey is FIGAYQVKYOZCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-7-8-17-10-12(9-11(2)3)15-13(16)18-14(4,5)6/h7,11-12H,1,8-10H2,2-6H3,(H,15,16).
What are the key properties of tert-butyl N-(4-methyl-1-prop-2-enoxypentan-2-yl)carbamate?
tert-butyl N-(4-methyl-1-prop-2-enoxypentan-2-yl)carbamate has a molecular weight of 257.37 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-methyl-1-prop-2-enoxypentan-2-yl)carbamate is sourced from PubChem (CID 15527384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).