[4-(dimethylcarbamoyloxy)-2,5-dimethylhexan-3-yl] N,N-dimethylcarbamate

C14H28N2O4 — CID 118272073

IUPAC[4-(dimethylcarbamoyloxy)-2,5-dimethylhexan-3-yl] N,N-dimethylcarbamate
SMILESCC(C)C(OC(=O)N(C)C)C(OC(=O)N(C)C)C(C)C
InChIInChI=1S/C14H28N2O4/c1-9(2)11(19-13(17)15(5)6)12(10(3)4)20-14(18)16(7)8/h9-12H,1-8H3
InChIKeyZWQUXYYYEHGEHV-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.43
Rot. Bonds5

About [4-(dimethylcarbamoyloxy)-2,5-dimethylhexan-3-yl] N,N-dimethylcarbamate

[4-(dimethylcarbamoyloxy)-2,5-dimethylhexan-3-yl] N,N-dimethylcarbamate (PubChem CID 118272073) has the molecular formula C14H28N2O4 and a molecular weight of 288.39 g/mol. Its IUPAC name is [4-(dimethylcarbamoyloxy)-2,5-dimethylhexan-3-yl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[4-(dimethylcarbamoyloxy)-2,5-dimethylhexan-3-yl] N,N-dimethylcarbamate
PubChem CID118272073
Molecular FormulaC14H28N2O4
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name[4-(dimethylcarbamoyloxy)-2,5-dimethylhexan-3-yl] N,N-dimethylcarbamate
SMILESCC(C)C(OC(=O)N(C)C)C(OC(=O)N(C)C)C(C)C
InChIInChI=1S/C14H28N2O4/c1-9(2)11(19-13(17)15(5)6)12(10(3)4)20-14(18)16(7)8/h9-12H,1-8H3
InChIKeyZWQUXYYYEHGEHV-UHFFFAOYSA-N
XLogP2.43
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethyl-2-methylheptan-3-yl) N,N-dimethylcarbamate
CID 137457799
[dimethylamino(dimethylcarbamoyloxy)methyl] N,N-dimethylcarbamate
CID 67567928
[4-(diphenylcarbamoyloxy)-2,5-dimethylhexan-3-yl] N,N-diphenylcarbamate
CID 118271941
bis(2,4-dimethylpentan-3-yl) carbonate
CID 87168840
2,4-dimethylpentan-3-yl 2-(dimethylamino)-2-methylpropanoate
CID 129131570
(3-carbamoyloxy-4-methylpentan-2-yl) carbamate
CID 140688379
2,4-dimethylpentan-3-yl methyl carbonate
CID 59320466
2-oxohexan-3-yl N,N-dimethylcarbamate
CID 135010538
(4-tert-butylperoxy-4-methylpentan-2-yl) N,N-dimethylcarbamate
CID 23346607
7-fluorooctan-4-yl N,N-dimethylcarbamate
CID 91584407
(4-ethyl-2-methylnonan-3-yl) N-ethyl-N-methylcarbamate
CID 155445153
3-(dimethylamino)-4-methoxy-5-methylhexan-2-one
CID 58883186

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylcarbamoyloxy)-2,5-dimethylhexan-3-yl] N,N-dimethylcarbamate?
The IUPAC name of [4-(dimethylcarbamoyloxy)-2,5-dimethylhexan-3-yl] N,N-dimethylcarbamate (CID 118272073) is [4-(dimethylcarbamoyloxy)-2,5-dimethylhexan-3-yl] N,N-dimethylcarbamate.
What is the SMILES notation for [4-(dimethylcarbamoyloxy)-2,5-dimethylhexan-3-yl] N,N-dimethylcarbamate?
The canonical SMILES for [4-(dimethylcarbamoyloxy)-2,5-dimethylhexan-3-yl] N,N-dimethylcarbamate is CC(C)C(OC(=O)N(C)C)C(OC(=O)N(C)C)C(C)C.
What is the InChIKey of [4-(dimethylcarbamoyloxy)-2,5-dimethylhexan-3-yl] N,N-dimethylcarbamate?
The InChIKey is ZWQUXYYYEHGEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4/c1-9(2)11(19-13(17)15(5)6)12(10(3)4)20-14(18)16(7)8/h9-12H,1-8H3.
What are the key properties of [4-(dimethylcarbamoyloxy)-2,5-dimethylhexan-3-yl] N,N-dimethylcarbamate?
[4-(dimethylcarbamoyloxy)-2,5-dimethylhexan-3-yl] N,N-dimethylcarbamate has a molecular weight of 288.39 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylcarbamoyloxy)-2,5-dimethylhexan-3-yl] N,N-dimethylcarbamate is sourced from PubChem (CID 118272073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).