2-methylpropyl [(E)-2,3,3-trimethyl-5-(methylamino)pent-4-en-2-yl] carbonate

C14H27NO3 — CID 139479553

IUPAC2-methylpropyl [(E)-2,3,3-trimethyl-5-(methylamino)pent-4-en-2-yl] carbonate
SMILESCN/C=C/C(C)(C)C(C)(C)OC(=O)OCC(C)C
InChIInChI=1S/C14H27NO3/c1-11(2)10-17-12(16)18-14(5,6)13(3,4)8-9-15-7/h8-9,11,15H,10H2,1-7H3/b9-8+
InChIKeyHXHDAZGYWUXFQU-CMDGGOBGSA-N
MW257.37 g/mol
LogP3.33
Rot. Bonds6

About 2-methylpropyl [(E)-2,3,3-trimethyl-5-(methylamino)pent-4-en-2-yl] carbonate

2-methylpropyl [(E)-2,3,3-trimethyl-5-(methylamino)pent-4-en-2-yl] carbonate (PubChem CID 139479553) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 2-methylpropyl [(E)-2,3,3-trimethyl-5-(methylamino)pent-4-en-2-yl] carbonate.

Molecular Properties

Compound Name2-methylpropyl [(E)-2,3,3-trimethyl-5-(methylamino)pent-4-en-2-yl] carbonate
PubChem CID139479553
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name2-methylpropyl [(E)-2,3,3-trimethyl-5-(methylamino)pent-4-en-2-yl] carbonate
SMILESCN/C=C/C(C)(C)C(C)(C)OC(=O)OCC(C)C
InChIInChI=1S/C14H27NO3/c1-11(2)10-17-12(16)18-14(5,6)13(3,4)8-9-15-7/h8-9,11,15H,10H2,1-7H3/b9-8+
InChIKeyHXHDAZGYWUXFQU-CMDGGOBGSA-N
XLogP3.33
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylbut-3-en-2-yl 2-methylpropyl carbonate
CID 11217669
2-methylpropyl prop-2-enyl carbonate
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1,1-bis(dimethoxyphosphoryl)ethyl 2-methylpropyl carbonate
CID 23421899
2-methylpropoxycarbonyl 2,2-dimethylpropanoate
CID 131856806
hydroxy 2-methylpropyl carbonate
CID 140981524
[(4Z,7Z)-2,10-dimethylundeca-4,7-dien-2-yl] 2-methylpropyl carbonate
CID 135224843
2-methylpropoxycarbonyl formate
CID 20708629
2-methylpropyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 58333495
2-hydroxypropyl 2-methylpropyl carbonate
CID 118462000
(2,3-dimethyl-3-propan-2-yloxybutan-2-yl) 2-(3-hydroxy-3-methylbutoxy)ethyl carbonate
CID 139436783
tert-butyl (2S)-3-methyl-2-(2-methylpropoxycarbonylamino)butanoate
CID 115539558
2-methyl-2-(2-methylpropoxy)propanamide
CID 137483152

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl [(E)-2,3,3-trimethyl-5-(methylamino)pent-4-en-2-yl] carbonate?
The IUPAC name of 2-methylpropyl [(E)-2,3,3-trimethyl-5-(methylamino)pent-4-en-2-yl] carbonate (CID 139479553) is 2-methylpropyl [(E)-2,3,3-trimethyl-5-(methylamino)pent-4-en-2-yl] carbonate.
What is the SMILES notation for 2-methylpropyl [(E)-2,3,3-trimethyl-5-(methylamino)pent-4-en-2-yl] carbonate?
The canonical SMILES for 2-methylpropyl [(E)-2,3,3-trimethyl-5-(methylamino)pent-4-en-2-yl] carbonate is CN/C=C/C(C)(C)C(C)(C)OC(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl [(E)-2,3,3-trimethyl-5-(methylamino)pent-4-en-2-yl] carbonate?
The InChIKey is HXHDAZGYWUXFQU-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H27NO3/c1-11(2)10-17-12(16)18-14(5,6)13(3,4)8-9-15-7/h8-9,11,15H,10H2,1-7H3/b9-8+.
What are the key properties of 2-methylpropyl [(E)-2,3,3-trimethyl-5-(methylamino)pent-4-en-2-yl] carbonate?
2-methylpropyl [(E)-2,3,3-trimethyl-5-(methylamino)pent-4-en-2-yl] carbonate has a molecular weight of 257.37 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl [(E)-2,3,3-trimethyl-5-(methylamino)pent-4-en-2-yl] carbonate is sourced from PubChem (CID 139479553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).