tert-butyl N-(2,5-dimethyl-6-methylideneoxan-3-yl)carbamate

C13H23NO3 — CID 123952118

IUPACtert-butyl N-(2,5-dimethyl-6-methylideneoxan-3-yl)carbamate
SMILESC=C1OC(C)C(NC(=O)OC(C)(C)C)CC1C
InChIInChI=1S/C13H23NO3/c1-8-7-11(10(3)16-9(8)2)14-12(15)17-13(4,5)6/h8,10-11H,2,7H2,1,3-6H3,(H,14,15)
InChIKeyAJAPPCREUAWPLU-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.84
Rot. Bonds1

About tert-butyl N-(2,5-dimethyl-6-methylideneoxan-3-yl)carbamate

tert-butyl N-(2,5-dimethyl-6-methylideneoxan-3-yl)carbamate (PubChem CID 123952118) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is tert-butyl N-(2,5-dimethyl-6-methylideneoxan-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2,5-dimethyl-6-methylideneoxan-3-yl)carbamate
PubChem CID123952118
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Nametert-butyl N-(2,5-dimethyl-6-methylideneoxan-3-yl)carbamate
SMILESC=C1OC(C)C(NC(=O)OC(C)(C)C)CC1C
InChIInChI=1S/C13H23NO3/c1-8-7-11(10(3)16-9(8)2)14-12(15)17-13(4,5)6/h8,10-11H,2,7H2,1,3-6H3,(H,14,15)
InChIKeyAJAPPCREUAWPLU-UHFFFAOYSA-N
XLogP2.84
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-(2,5-dimethyl-6-methylideneoxan-3-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-Butyl ((2R,3R,5S,6S)-6-allyl-2,5-dimethyltetrahydro-2H-pyran-3-yl)carbamate
CID 16070718
tert-butyl N-[(3R,6S)-6-ethenyloxan-3-yl]carbamate
CID 57699468
tert-butyl N-[(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-yl]carbamate
CID 59552198
tert-butyl N-(6-ethenyloxan-3-yl)carbamate
CID 66740056
tert-butyl N-[(2R,3R)-2-methyl-6-methylideneoxan-3-yl]carbamate
CID 68368852
tert-butyl N-(2,5-dimethyl-6-prop-2-enyloxan-3-yl)carbamate
CID 73232509
oxan-4-yl N-[(3R)-2,5-dimethyl-4-methylidenehexan-3-yl]carbamate
CID 88995069
tert-butyl N-[(2R,3R)-2-methyl-6-prop-2-enyloxan-3-yl]carbamate
CID 89199359
tert-butyl N-[(2R,3R,5S)-2,5-dimethyl-6-methylideneoxan-3-yl]carbamate
CID 90246524
tert-butyl N-(2-methyl-5-methylideneoxan-3-yl)carbamate
CID 90998343
oxan-4-yl N-(2,5-dimethyl-4-methylidenehexan-3-yl)carbamate
CID 91201551
methyl N-[1-(2,6-dimethyloxan-4-yl)-2-methylprop-2-enyl]carbamate
CID 123140147

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2,5-dimethyl-6-methylideneoxan-3-yl)carbamate?
The IUPAC name of tert-butyl N-(2,5-dimethyl-6-methylideneoxan-3-yl)carbamate (CID 123952118) is tert-butyl N-(2,5-dimethyl-6-methylideneoxan-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2,5-dimethyl-6-methylideneoxan-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(2,5-dimethyl-6-methylideneoxan-3-yl)carbamate is C=C1OC(C)C(NC(=O)OC(C)(C)C)CC1C.
What is the InChIKey of tert-butyl N-(2,5-dimethyl-6-methylideneoxan-3-yl)carbamate?
The InChIKey is AJAPPCREUAWPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-8-7-11(10(3)16-9(8)2)14-12(15)17-13(4,5)6/h8,10-11H,2,7H2,1,3-6H3,(H,14,15).
What are the key properties of tert-butyl N-(2,5-dimethyl-6-methylideneoxan-3-yl)carbamate?
tert-butyl N-(2,5-dimethyl-6-methylideneoxan-3-yl)carbamate has a molecular weight of 241.33 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2,5-dimethyl-6-methylideneoxan-3-yl)carbamate is sourced from PubChem (CID 123952118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).