2-oxohexan-3-yl N,N-dimethylcarbamate

C9H17NO3 — CID 135010538

IUPAC2-oxohexan-3-yl N,N-dimethylcarbamate
SMILESCCCC(OC(=O)N(C)C)C(C)=O
InChIInChI=1S/C9H17NO3/c1-5-6-8(7(2)11)13-9(12)10(3)4/h8H,5-6H2,1-4H3
InChIKeyWMPPSKPPBFFVIC-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.44
Rot. Bonds4

About 2-oxohexan-3-yl N,N-dimethylcarbamate

2-oxohexan-3-yl N,N-dimethylcarbamate (PubChem CID 135010538) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-oxohexan-3-yl N,N-dimethylcarbamate.

Molecular Properties

Compound Name2-oxohexan-3-yl N,N-dimethylcarbamate
PubChem CID135010538
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name2-oxohexan-3-yl N,N-dimethylcarbamate
SMILESCCCC(OC(=O)N(C)C)C(C)=O
InChIInChI=1S/C9H17NO3/c1-5-6-8(7(2)11)13-9(12)10(3)4/h8H,5-6H2,1-4H3
InChIKeyWMPPSKPPBFFVIC-UHFFFAOYSA-N
XLogP1.44
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethyl-2-methylheptan-3-yl) N,N-dimethylcarbamate
CID 137457799
7-fluorooctan-4-yl N,N-dimethylcarbamate
CID 91584407
3-[(3E)-4-methylhexa-1,3,5-trien-3-yl]oxyhexan-2-one
CID 144994967
[(3S)-2-oxooctan-3-yl] acetate
CID 134963991
3-(2-methylprop-2-enoxy)hexan-2-one
CID 143554575
ethane;3-(2-methylprop-2-enoxy)hexan-2-one;hydrate
CID 143554574
[dimethylamino(dimethylcarbamoyloxy)methyl] N,N-dimethylcarbamate
CID 67567928
3-(dimethylamino)butyl N,N-dimethylcarbamate
CID 10465092
3-(2-oxohexan-3-yloxy)propanenitrile
CID 44720972
4-O-[(3S)-1-amino-4-oxopentan-3-yl] 1-O-pentan-2-yl butanedioate
CID 121429264
(6-hydroxy-5-oxononan-4-yl) acetate
CID 14791587
(313C)heptan-4-yl acetate
CID 117065532

Frequently Asked Questions

What is the IUPAC name of 2-oxohexan-3-yl N,N-dimethylcarbamate?
The IUPAC name of 2-oxohexan-3-yl N,N-dimethylcarbamate (CID 135010538) is 2-oxohexan-3-yl N,N-dimethylcarbamate.
What is the SMILES notation for 2-oxohexan-3-yl N,N-dimethylcarbamate?
The canonical SMILES for 2-oxohexan-3-yl N,N-dimethylcarbamate is CCCC(OC(=O)N(C)C)C(C)=O.
What is the InChIKey of 2-oxohexan-3-yl N,N-dimethylcarbamate?
The InChIKey is WMPPSKPPBFFVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-5-6-8(7(2)11)13-9(12)10(3)4/h8H,5-6H2,1-4H3.
What are the key properties of 2-oxohexan-3-yl N,N-dimethylcarbamate?
2-oxohexan-3-yl N,N-dimethylcarbamate has a molecular weight of 187.24 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxohexan-3-yl N,N-dimethylcarbamate is sourced from PubChem (CID 135010538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).