octa-1,3,5-trien-3-yl N,N-dimethylcarbamate

C11H17NO2 — CID 142698176

IUPACocta-1,3,5-trien-3-yl N,N-dimethylcarbamate
SMILESC=CC(=CC=CCC)OC(=O)N(C)C
InChIInChI=1S/C11H17NO2/c1-5-7-8-9-10(6-2)14-11(13)12(3)4/h6-9H,2,5H2,1,3-4H3
InChIKeyOPBZHWSOLBQHKC-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.72
Rot. Bonds4

About octa-1,3,5-trien-3-yl N,N-dimethylcarbamate

octa-1,3,5-trien-3-yl N,N-dimethylcarbamate (PubChem CID 142698176) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is octa-1,3,5-trien-3-yl N,N-dimethylcarbamate.

Molecular Properties

Compound Nameocta-1,3,5-trien-3-yl N,N-dimethylcarbamate
PubChem CID142698176
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Nameocta-1,3,5-trien-3-yl N,N-dimethylcarbamate
SMILESC=CC(=CC=CCC)OC(=O)N(C)C
InChIInChI=1S/C11H17NO2/c1-5-7-8-9-10(6-2)14-11(13)12(3)4/h6-9H,2,5H2,1,3-4H3
InChIKeyOPBZHWSOLBQHKC-UHFFFAOYSA-N
XLogP2.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of octa-1,3,5-trien-3-yl N,N-dimethylcarbamate?
The IUPAC name of octa-1,3,5-trien-3-yl N,N-dimethylcarbamate (CID 142698176) is octa-1,3,5-trien-3-yl N,N-dimethylcarbamate.
What is the SMILES notation for octa-1,3,5-trien-3-yl N,N-dimethylcarbamate?
The canonical SMILES for octa-1,3,5-trien-3-yl N,N-dimethylcarbamate is C=CC(=CC=CCC)OC(=O)N(C)C.
What is the InChIKey of octa-1,3,5-trien-3-yl N,N-dimethylcarbamate?
The InChIKey is OPBZHWSOLBQHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-5-7-8-9-10(6-2)14-11(13)12(3)4/h6-9H,2,5H2,1,3-4H3.
What are the key properties of octa-1,3,5-trien-3-yl N,N-dimethylcarbamate?
octa-1,3,5-trien-3-yl N,N-dimethylcarbamate has a molecular weight of 195.26 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for octa-1,3,5-trien-3-yl N,N-dimethylcarbamate is sourced from PubChem (CID 142698176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).