ethane;[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl] N-methylcarbamate

C17H39NO4 — CID 143339482

IUPACethane;[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl] N-methylcarbamate
SMILESCC.CC.CNC(=O)OCCC(C)(C)OCCC(C)(C)OC
InChIInChI=1S/C13H27NO4.2C2H6/c1-12(2,16-6)8-10-18-13(3,4)7-9-17-11(15)14-5;2*1-2/h7-10H2,1-6H3,(H,14,15);2*1-2H3
InChIKeyKMHOQVBSGDOSAT-UHFFFAOYSA-N
MW321.50 g/mol
LogP4.40
Rot. Bonds8

About ethane;[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl] N-methylcarbamate

ethane;[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl] N-methylcarbamate (PubChem CID 143339482) has the molecular formula C17H39NO4 and a molecular weight of 321.50 g/mol. Its IUPAC name is ethane;[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl] N-methylcarbamate.

Molecular Properties

Compound Nameethane;[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl] N-methylcarbamate
PubChem CID143339482
Molecular FormulaC17H39NO4
Molecular Weight321.50 g/mol
Exact Mass321.29
IUPAC Nameethane;[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl] N-methylcarbamate
SMILESCC.CC.CNC(=O)OCCC(C)(C)OCCC(C)(C)OC
InChIInChI=1S/C13H27NO4.2C2H6/c1-12(2,16-6)8-10-18-13(3,4)7-9-17-11(15)14-5;2*1-2/h7-10H2,1-6H3,(H,14,15);2*1-2H3
InChIKeyKMHOQVBSGDOSAT-UHFFFAOYSA-N
XLogP4.40
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.50
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-methoxy-3-methylbutoxy)-4-methylpentan-1-ol
CID 170009716
2-[2-[3-(3-methoxy-3-methylbutoxy)-3-methylbutoxy]-2-oxoethoxy]acetic acid
CID 89073210
4,4-dimethylpentyl N-methylcarbamate;ethane
CID 159375955
(3-methoxy-3-methylbutoxy)carbonyl (3-methoxy-3-methylbutyl) carbonate
CID 140987016
tert-butyl 4-(3-methoxy-3-methylbutoxy)-4-methylpentanoate
CID 88982761
[2-(3-methoxy-3-methylbutoxy)-2-methylpropyl]carbamoyl acetate
CID 118407791
acetic acid;(3-methoxy-3-methylbutyl) acetate
CID 162329695
3-(3-methoxy-3-methylbutoxy)-3-methylbutan-2-one
CID 123396731
(3-methoxy-3-methylbutyl) 2-(methylamino)butanoate
CID 106666081
[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl] N-(2-octadecylsulfanylhenicosyl)carbamate
CID 123937474
(3-methoxy-3-methylbutyl) 2-methoxyacetate
CID 44602909
ethane-1,2-diol;(3-methoxy-3-methylbutyl) acetate
CID 146356038

Frequently Asked Questions

What is the IUPAC name of ethane;[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl] N-methylcarbamate?
The IUPAC name of ethane;[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl] N-methylcarbamate (CID 143339482) is ethane;[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl] N-methylcarbamate.
What is the SMILES notation for ethane;[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl] N-methylcarbamate?
The canonical SMILES for ethane;[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl] N-methylcarbamate is CC.CC.CNC(=O)OCCC(C)(C)OCCC(C)(C)OC.
What is the InChIKey of ethane;[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl] N-methylcarbamate?
The InChIKey is KMHOQVBSGDOSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO4.2C2H6/c1-12(2,16-6)8-10-18-13(3,4)7-9-17-11(15)14-5;2*1-2/h7-10H2,1-6H3,(H,14,15);2*1-2H3.
What are the key properties of ethane;[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl] N-methylcarbamate?
ethane;[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl] N-methylcarbamate has a molecular weight of 321.50 g/mol, XLogP of 4.40, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[3-(3-methoxy-3-methylbutoxy)-3-methylbutyl] N-methylcarbamate is sourced from PubChem (CID 143339482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).