(1,6-dimethylcyclohexa-2,4-dien-1-yl) N,N-diethylcarbamate

C13H21NO2 — CID 139683813

IUPAC(1,6-dimethylcyclohexa-2,4-dien-1-yl) N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OC1(C)C=CC=CC1C
InChIInChI=1S/C13H21NO2/c1-5-14(6-2)12(15)16-13(4)10-8-7-9-11(13)3/h7-11H,5-6H2,1-4H3
InChIKeyOCSXUUYNYIAPHM-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.99
Rot. Bonds3

About (1,6-dimethylcyclohexa-2,4-dien-1-yl) N,N-diethylcarbamate

(1,6-dimethylcyclohexa-2,4-dien-1-yl) N,N-diethylcarbamate (PubChem CID 139683813) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is (1,6-dimethylcyclohexa-2,4-dien-1-yl) N,N-diethylcarbamate.

Molecular Properties

Compound Name(1,6-dimethylcyclohexa-2,4-dien-1-yl) N,N-diethylcarbamate
PubChem CID139683813
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name(1,6-dimethylcyclohexa-2,4-dien-1-yl) N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OC1(C)C=CC=CC1C
InChIInChI=1S/C13H21NO2/c1-5-14(6-2)12(15)16-13(4)10-8-7-9-11(13)3/h7-11H,5-6H2,1-4H3
InChIKeyOCSXUUYNYIAPHM-UHFFFAOYSA-N
XLogP2.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(3Z)-6-methylhepta-1,3-dien-3-yl] N,N-di(propan-2-yl)carbamate
CID 15727156
(1,6-dimethylcyclohexa-2,4-dien-1-yl) N-ethylcarbamate
CID 139683812
(1,6-dimethylcyclohexa-2,4-dien-1-yl) N-propylcarbamate
CID 139683815
(1,6-dimethylcyclohexa-2,4-dien-1-yl) N,N-di(propan-2-yl)carbamate
CID 139683818
(1,6-dimethylcyclohexa-2,4-dien-1-yl) N,N-dipropylcarbamate
CID 139683819
(1,6-dimethylcyclohexa-2,4-dien-1-yl) N,N-dimethylcarbamate
CID 141299160
6-methylhepta-2,4-dienyl N,N-diethylcarbamate
CID 175987271
(1E)-4-methyl-1-vinyl-1-pentenyl diisopropylcarbamate
CID 15727157

Frequently Asked Questions

What is the IUPAC name of (1,6-dimethylcyclohexa-2,4-dien-1-yl) N,N-diethylcarbamate?
The IUPAC name of (1,6-dimethylcyclohexa-2,4-dien-1-yl) N,N-diethylcarbamate (CID 139683813) is (1,6-dimethylcyclohexa-2,4-dien-1-yl) N,N-diethylcarbamate.
What is the SMILES notation for (1,6-dimethylcyclohexa-2,4-dien-1-yl) N,N-diethylcarbamate?
The canonical SMILES for (1,6-dimethylcyclohexa-2,4-dien-1-yl) N,N-diethylcarbamate is CCN(CC)C(=O)OC1(C)C=CC=CC1C.
What is the InChIKey of (1,6-dimethylcyclohexa-2,4-dien-1-yl) N,N-diethylcarbamate?
The InChIKey is OCSXUUYNYIAPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-5-14(6-2)12(15)16-13(4)10-8-7-9-11(13)3/h7-11H,5-6H2,1-4H3.
What are the key properties of (1,6-dimethylcyclohexa-2,4-dien-1-yl) N,N-diethylcarbamate?
(1,6-dimethylcyclohexa-2,4-dien-1-yl) N,N-diethylcarbamate has a molecular weight of 223.32 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,6-dimethylcyclohexa-2,4-dien-1-yl) N,N-diethylcarbamate is sourced from PubChem (CID 139683813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).