[(2E)-3,7-dimethylocta-2,6-dienyl] N-methylcarbamate

C12H21NO2 — CID 154734505

IUPAC[(2E)-3,7-dimethylocta-2,6-dienyl] N-methylcarbamate
SMILESCNC(=O)OC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C12H21NO2/c1-10(2)6-5-7-11(3)8-9-15-12(14)13-4/h6,8H,5,7,9H2,1-4H3,(H,13,14)/b11-8+
InChIKeyFEZQPTXSMIXZNH-DHZHZOJOSA-N
MW211.30 g/mol
LogP3.04
Rot. Bonds5

About [(2E)-3,7-dimethylocta-2,6-dienyl] N-methylcarbamate

[(2E)-3,7-dimethylocta-2,6-dienyl] N-methylcarbamate (PubChem CID 154734505) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is [(2E)-3,7-dimethylocta-2,6-dienyl] N-methylcarbamate.

Molecular Properties

Compound Name[(2E)-3,7-dimethylocta-2,6-dienyl] N-methylcarbamate
PubChem CID154734505
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name[(2E)-3,7-dimethylocta-2,6-dienyl] N-methylcarbamate
SMILESCNC(=O)OC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C12H21NO2/c1-10(2)6-5-7-11(3)8-9-15-12(14)13-4/h6,8H,5,7,9H2,1-4H3,(H,13,14)/b11-8+
InChIKeyFEZQPTXSMIXZNH-DHZHZOJOSA-N
XLogP3.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2E)-3,7-dimethylocta-2,6-dienyl] N-methylcarbamate?
The IUPAC name of [(2E)-3,7-dimethylocta-2,6-dienyl] N-methylcarbamate (CID 154734505) is [(2E)-3,7-dimethylocta-2,6-dienyl] N-methylcarbamate.
What is the SMILES notation for [(2E)-3,7-dimethylocta-2,6-dienyl] N-methylcarbamate?
The canonical SMILES for [(2E)-3,7-dimethylocta-2,6-dienyl] N-methylcarbamate is CNC(=O)OC/C=C(\C)CCC=C(C)C.
What is the InChIKey of [(2E)-3,7-dimethylocta-2,6-dienyl] N-methylcarbamate?
The InChIKey is FEZQPTXSMIXZNH-DHZHZOJOSA-N. The full InChI is InChI=1S/C12H21NO2/c1-10(2)6-5-7-11(3)8-9-15-12(14)13-4/h6,8H,5,7,9H2,1-4H3,(H,13,14)/b11-8+.
What are the key properties of [(2E)-3,7-dimethylocta-2,6-dienyl] N-methylcarbamate?
[(2E)-3,7-dimethylocta-2,6-dienyl] N-methylcarbamate has a molecular weight of 211.30 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-3,7-dimethylocta-2,6-dienyl] N-methylcarbamate is sourced from PubChem (CID 154734505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).