chloromethane;ethane;[5-(ethenylamino)-4-methyloxolan-2-yl]methyl 2-methylpropanoate;2-methylpropanoic acid

C19H38ClNO5 — CID 169252426

IUPACchloromethane;ethane;[5-(ethenylamino)-4-methyloxolan-2-yl]methyl 2-methylpropanoate;2-methylpropanoic acid
SMILESC=CNC1OC(COC(=O)C(C)C)CC1C.CC.CC(C)C(=O)O.CCl
InChIInChI=1S/C12H21NO3.C4H8O2.C2H6.CH3Cl/c1-5-13-11-9(4)6-10(16-11)7-15-12(14)8(2)3;1-3(2)4(5)6;2*1-2/h5,8-11,13H,1,6-7H2,2-4H3;3H,1-2H3,(H,5,6);1-2H3;1H3
InChIKeyDFZKWXGMVQCOBQ-UHFFFAOYSA-N
MW395.97 g/mol
LogP4.28
Rot. Bonds6

About chloromethane;ethane;[5-(ethenylamino)-4-methyloxolan-2-yl]methyl 2-methylpropanoate;2-methylpropanoic acid

chloromethane;ethane;[5-(ethenylamino)-4-methyloxolan-2-yl]methyl 2-methylpropanoate;2-methylpropanoic acid (PubChem CID 169252426) has the molecular formula C19H38ClNO5 and a molecular weight of 395.97 g/mol. Its IUPAC name is chloromethane;ethane;[5-(ethenylamino)-4-methyloxolan-2-yl]methyl 2-methylpropanoate;2-methylpropanoic acid.

Molecular Properties

Compound Namechloromethane;ethane;[5-(ethenylamino)-4-methyloxolan-2-yl]methyl 2-methylpropanoate;2-methylpropanoic acid
PubChem CID169252426
Molecular FormulaC19H38ClNO5
Molecular Weight395.97 g/mol
Exact Mass395.24
IUPAC Namechloromethane;ethane;[5-(ethenylamino)-4-methyloxolan-2-yl]methyl 2-methylpropanoate;2-methylpropanoic acid
SMILESC=CNC1OC(COC(=O)C(C)C)CC1C.CC.CC(C)C(=O)O.CCl
InChIInChI=1S/C12H21NO3.C4H8O2.C2H6.CH3Cl/c1-5-13-11-9(4)6-10(16-11)7-15-12(14)8(2)3;1-3(2)4(5)6;2*1-2/h5,8-11,13H,1,6-7H2,2-4H3;3H,1-2H3,(H,5,6);1-2H3;1H3
InChIKeyDFZKWXGMVQCOBQ-UHFFFAOYSA-N
XLogP4.28
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.97
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloromethane;ethane;[5-(ethenylamino)-4-methyloxolan-2-yl]methyl 2-methylpropanoate;2-methylpropanoic acid?
The IUPAC name of chloromethane;ethane;[5-(ethenylamino)-4-methyloxolan-2-yl]methyl 2-methylpropanoate;2-methylpropanoic acid (CID 169252426) is chloromethane;ethane;[5-(ethenylamino)-4-methyloxolan-2-yl]methyl 2-methylpropanoate;2-methylpropanoic acid.
What is the SMILES notation for chloromethane;ethane;[5-(ethenylamino)-4-methyloxolan-2-yl]methyl 2-methylpropanoate;2-methylpropanoic acid?
The canonical SMILES for chloromethane;ethane;[5-(ethenylamino)-4-methyloxolan-2-yl]methyl 2-methylpropanoate;2-methylpropanoic acid is C=CNC1OC(COC(=O)C(C)C)CC1C.CC.CC(C)C(=O)O.CCl.
What is the InChIKey of chloromethane;ethane;[5-(ethenylamino)-4-methyloxolan-2-yl]methyl 2-methylpropanoate;2-methylpropanoic acid?
The InChIKey is DFZKWXGMVQCOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3.C4H8O2.C2H6.CH3Cl/c1-5-13-11-9(4)6-10(16-11)7-15-12(14)8(2)3;1-3(2)4(5)6;2*1-2/h5,8-11,13H,1,6-7H2,2-4H3;3H,1-2H3,(H,5,6);1-2H3;1H3.
What are the key properties of chloromethane;ethane;[5-(ethenylamino)-4-methyloxolan-2-yl]methyl 2-methylpropanoate;2-methylpropanoic acid?
chloromethane;ethane;[5-(ethenylamino)-4-methyloxolan-2-yl]methyl 2-methylpropanoate;2-methylpropanoic acid has a molecular weight of 395.97 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethane;ethane;[5-(ethenylamino)-4-methyloxolan-2-yl]methyl 2-methylpropanoate;2-methylpropanoic acid is sourced from PubChem (CID 169252426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).