(2,4,6-trimethylcyclohexa-1,5-dien-1-yl) N,N-dimethylcarbamate

C12H19NO2 — CID 123523557

IUPAC(2,4,6-trimethylcyclohexa-1,5-dien-1-yl) N,N-dimethylcarbamate
SMILESCC1=CC(C)CC(C)=C1OC(=O)N(C)C
InChIInChI=1S/C12H19NO2/c1-8-6-9(2)11(10(3)7-8)15-12(14)13(4)5/h6,8H,7H2,1-5H3
InChIKeySNRJZWJJCBOKJE-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.94
Rot. Bonds1

About (2,4,6-trimethylcyclohexa-1,5-dien-1-yl) N,N-dimethylcarbamate

(2,4,6-trimethylcyclohexa-1,5-dien-1-yl) N,N-dimethylcarbamate (PubChem CID 123523557) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is (2,4,6-trimethylcyclohexa-1,5-dien-1-yl) N,N-dimethylcarbamate.

Molecular Properties

Compound Name(2,4,6-trimethylcyclohexa-1,5-dien-1-yl) N,N-dimethylcarbamate
PubChem CID123523557
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name(2,4,6-trimethylcyclohexa-1,5-dien-1-yl) N,N-dimethylcarbamate
SMILESCC1=CC(C)CC(C)=C1OC(=O)N(C)C
InChIInChI=1S/C12H19NO2/c1-8-6-9(2)11(10(3)7-8)15-12(14)13(4)5/h6,8H,7H2,1-5H3
InChIKeySNRJZWJJCBOKJE-UHFFFAOYSA-N
XLogP2.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,4,6-trimethylcyclohexa-1,5-dien-1-yl) N,N-dimethylcarbamate?
The IUPAC name of (2,4,6-trimethylcyclohexa-1,5-dien-1-yl) N,N-dimethylcarbamate (CID 123523557) is (2,4,6-trimethylcyclohexa-1,5-dien-1-yl) N,N-dimethylcarbamate.
What is the SMILES notation for (2,4,6-trimethylcyclohexa-1,5-dien-1-yl) N,N-dimethylcarbamate?
The canonical SMILES for (2,4,6-trimethylcyclohexa-1,5-dien-1-yl) N,N-dimethylcarbamate is CC1=CC(C)CC(C)=C1OC(=O)N(C)C.
What is the InChIKey of (2,4,6-trimethylcyclohexa-1,5-dien-1-yl) N,N-dimethylcarbamate?
The InChIKey is SNRJZWJJCBOKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-8-6-9(2)11(10(3)7-8)15-12(14)13(4)5/h6,8H,7H2,1-5H3.
What are the key properties of (2,4,6-trimethylcyclohexa-1,5-dien-1-yl) N,N-dimethylcarbamate?
(2,4,6-trimethylcyclohexa-1,5-dien-1-yl) N,N-dimethylcarbamate has a molecular weight of 209.29 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,6-trimethylcyclohexa-1,5-dien-1-yl) N,N-dimethylcarbamate is sourced from PubChem (CID 123523557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).