6-methylhepta-2,4-dienyl N,N-diethylcarbamate

C13H23NO2 — CID 175987271

IUPAC6-methylhepta-2,4-dienyl N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OCC=CC=CC(C)C
InChIInChI=1S/C13H23NO2/c1-5-14(6-2)13(15)16-11-9-7-8-10-12(3)4/h7-10,12H,5-6,11H2,1-4H3
InChIKeyDCXZTJPPTCLTMP-UHFFFAOYSA-N
MW225.33 g/mol
LogP3.23
Rot. Bonds6

About 6-methylhepta-2,4-dienyl N,N-diethylcarbamate

6-methylhepta-2,4-dienyl N,N-diethylcarbamate (PubChem CID 175987271) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 6-methylhepta-2,4-dienyl N,N-diethylcarbamate.

Molecular Properties

Compound Name6-methylhepta-2,4-dienyl N,N-diethylcarbamate
PubChem CID175987271
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name6-methylhepta-2,4-dienyl N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OCC=CC=CC(C)C
InChIInChI=1S/C13H23NO2/c1-5-14(6-2)13(15)16-11-9-7-8-10-12(3)4/h7-10,12H,5-6,11H2,1-4H3
InChIKeyDCXZTJPPTCLTMP-UHFFFAOYSA-N
XLogP3.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methylhepta-2,4-dienyl N,N-diethylcarbamate?
The IUPAC name of 6-methylhepta-2,4-dienyl N,N-diethylcarbamate (CID 175987271) is 6-methylhepta-2,4-dienyl N,N-diethylcarbamate.
What is the SMILES notation for 6-methylhepta-2,4-dienyl N,N-diethylcarbamate?
The canonical SMILES for 6-methylhepta-2,4-dienyl N,N-diethylcarbamate is CCN(CC)C(=O)OCC=CC=CC(C)C.
What is the InChIKey of 6-methylhepta-2,4-dienyl N,N-diethylcarbamate?
The InChIKey is DCXZTJPPTCLTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-5-14(6-2)13(15)16-11-9-7-8-10-12(3)4/h7-10,12H,5-6,11H2,1-4H3.
What are the key properties of 6-methylhepta-2,4-dienyl N,N-diethylcarbamate?
6-methylhepta-2,4-dienyl N,N-diethylcarbamate has a molecular weight of 225.33 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylhepta-2,4-dienyl N,N-diethylcarbamate is sourced from PubChem (CID 175987271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).