methyl N-(2-methoxy-5-methyl-4-methylidenehexan-3-yl)carbamate

C11H21NO3 — CID 89000571

IUPACmethyl N-(2-methoxy-5-methyl-4-methylidenehexan-3-yl)carbamate
SMILESC=C(C(C)C)C(NC(=O)OC)C(C)OC
InChIInChI=1S/C11H21NO3/c1-7(2)8(3)10(9(4)14-5)12-11(13)15-6/h7,9-10H,3H2,1-2,4-6H3,(H,12,13)
InChIKeyFXHSXWOOPOZNJM-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.96
Rot. Bonds5

About methyl N-(2-methoxy-5-methyl-4-methylidenehexan-3-yl)carbamate

methyl N-(2-methoxy-5-methyl-4-methylidenehexan-3-yl)carbamate (PubChem CID 89000571) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is methyl N-(2-methoxy-5-methyl-4-methylidenehexan-3-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(2-methoxy-5-methyl-4-methylidenehexan-3-yl)carbamate
PubChem CID89000571
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namemethyl N-(2-methoxy-5-methyl-4-methylidenehexan-3-yl)carbamate
SMILESC=C(C(C)C)C(NC(=O)OC)C(C)OC
InChIInChI=1S/C11H21NO3/c1-7(2)8(3)10(9(4)14-5)12-11(13)15-6/h7,9-10H,3H2,1-2,4-6H3,(H,12,13)
InChIKeyFXHSXWOOPOZNJM-UHFFFAOYSA-N
XLogP1.96
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl N-(2-methoxy-5-methyl-4-methylidenehexan-3-yl)carbamate?
The IUPAC name of methyl N-(2-methoxy-5-methyl-4-methylidenehexan-3-yl)carbamate (CID 89000571) is methyl N-(2-methoxy-5-methyl-4-methylidenehexan-3-yl)carbamate.
What is the SMILES notation for methyl N-(2-methoxy-5-methyl-4-methylidenehexan-3-yl)carbamate?
The canonical SMILES for methyl N-(2-methoxy-5-methyl-4-methylidenehexan-3-yl)carbamate is C=C(C(C)C)C(NC(=O)OC)C(C)OC.
What is the InChIKey of methyl N-(2-methoxy-5-methyl-4-methylidenehexan-3-yl)carbamate?
The InChIKey is FXHSXWOOPOZNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-7(2)8(3)10(9(4)14-5)12-11(13)15-6/h7,9-10H,3H2,1-2,4-6H3,(H,12,13).
What are the key properties of methyl N-(2-methoxy-5-methyl-4-methylidenehexan-3-yl)carbamate?
methyl N-(2-methoxy-5-methyl-4-methylidenehexan-3-yl)carbamate has a molecular weight of 215.29 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-methoxy-5-methyl-4-methylidenehexan-3-yl)carbamate is sourced from PubChem (CID 89000571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).