4,4-dimethylpentyl N-methylcarbamate;ethane

C11H25NO2 — CID 159375955

IUPAC4,4-dimethylpentyl N-methylcarbamate;ethane
SMILESCC.CNC(=O)OCCCC(C)(C)C
InChIInChI=1S/C9H19NO2.C2H6/c1-9(2,3)6-5-7-12-8(11)10-4;1-2/h5-7H2,1-4H3,(H,10,11);1-2H3
InChIKeyLKHXXHZJJAATGM-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.19
Rot. Bonds3

About 4,4-dimethylpentyl N-methylcarbamate;ethane

4,4-dimethylpentyl N-methylcarbamate;ethane (PubChem CID 159375955) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 4,4-dimethylpentyl N-methylcarbamate;ethane.

Molecular Properties

Compound Name4,4-dimethylpentyl N-methylcarbamate;ethane
PubChem CID159375955
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name4,4-dimethylpentyl N-methylcarbamate;ethane
SMILESCC.CNC(=O)OCCCC(C)(C)C
InChIInChI=1S/C9H19NO2.C2H6/c1-9(2,3)6-5-7-12-8(11)10-4;1-2/h5-7H2,1-4H3,(H,10,11);1-2H3
InChIKeyLKHXXHZJJAATGM-UHFFFAOYSA-N
XLogP3.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(methylcarbamoyloxy)pentyl N-methylcarbamate
CID 59800394
ethane;propyl N-methylcarbamate
CID 142560404
5-hydroxypentyl N-methylcarbamate
CID 138694704
ethane;[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl] N-methylcarbamate
CID 143339482
3-[2-(2-methoxyethoxy)ethoxy]propyl N-methylcarbamate
CID 177295921
4-sulfanylidenebutyl N-methylcarbamate
CID 22381142
6,6-dimethylheptyl hydrogen carbonate
CID 129150337
2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethanamine
CID 58409020
6,6-dimethylheptyl nonyl carbonate;ethane
CID 177149018
5-(methylcarbamoyloxy)-2-methylidenepentanoic acid
CID 87964103
3-(2-hydroxyethylsulfanyl)propyl N-methylcarbamate
CID 172550897
2-(methylcarbamoyloxy)ethyl 2,2,2-trifluoroacetate
CID 146363866

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethylpentyl N-methylcarbamate;ethane?
The IUPAC name of 4,4-dimethylpentyl N-methylcarbamate;ethane (CID 159375955) is 4,4-dimethylpentyl N-methylcarbamate;ethane.
What is the SMILES notation for 4,4-dimethylpentyl N-methylcarbamate;ethane?
The canonical SMILES for 4,4-dimethylpentyl N-methylcarbamate;ethane is CC.CNC(=O)OCCCC(C)(C)C.
What is the InChIKey of 4,4-dimethylpentyl N-methylcarbamate;ethane?
The InChIKey is LKHXXHZJJAATGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2.C2H6/c1-9(2,3)6-5-7-12-8(11)10-4;1-2/h5-7H2,1-4H3,(H,10,11);1-2H3.
What are the key properties of 4,4-dimethylpentyl N-methylcarbamate;ethane?
4,4-dimethylpentyl N-methylcarbamate;ethane has a molecular weight of 203.33 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethylpentyl N-methylcarbamate;ethane is sourced from PubChem (CID 159375955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).