propan-2-yl N-[(2E)-3,7-dimethylocta-2,6-dienyl]carbamate

C14H25NO2 — CID 58895166

IUPACpropan-2-yl N-[(2E)-3,7-dimethylocta-2,6-dienyl]carbamate
SMILESCC(C)=CCC/C(C)=C/CNC(=O)OC(C)C
InChIInChI=1S/C14H25NO2/c1-11(2)7-6-8-13(5)9-10-15-14(16)17-12(3)4/h7,9,12H,6,8,10H2,1-5H3,(H,15,16)/b13-9+
InChIKeyUYIIDVRBTHKPLE-UKTHLTGXSA-N
MW239.36 g/mol
LogP3.81
Rot. Bonds6

About propan-2-yl N-[(2E)-3,7-dimethylocta-2,6-dienyl]carbamate

propan-2-yl N-[(2E)-3,7-dimethylocta-2,6-dienyl]carbamate (PubChem CID 58895166) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is propan-2-yl N-[(2E)-3,7-dimethylocta-2,6-dienyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(2E)-3,7-dimethylocta-2,6-dienyl]carbamate
PubChem CID58895166
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Namepropan-2-yl N-[(2E)-3,7-dimethylocta-2,6-dienyl]carbamate
SMILESCC(C)=CCC/C(C)=C/CNC(=O)OC(C)C
InChIInChI=1S/C14H25NO2/c1-11(2)7-6-8-13(5)9-10-15-14(16)17-12(3)4/h7,9,12H,6,8,10H2,1-5H3,(H,15,16)/b13-9+
InChIKeyUYIIDVRBTHKPLE-UKTHLTGXSA-N
XLogP3.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.81
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 propan-2-yl N-[(2E)-3,7-dimethylocta-2,6-dienyl]carbamate?
The IUPAC name of propan-2-yl N-[(2E)-3,7-dimethylocta-2,6-dienyl]carbamate (CID 58895166) is propan-2-yl N-[(2E)-3,7-dimethylocta-2,6-dienyl]carbamate.
What is the SMILES notation for propan-2-yl N-[(2E)-3,7-dimethylocta-2,6-dienyl]carbamate?
The canonical SMILES for propan-2-yl N-[(2E)-3,7-dimethylocta-2,6-dienyl]carbamate is CC(C)=CCC/C(C)=C/CNC(=O)OC(C)C.
What is the InChIKey of propan-2-yl N-[(2E)-3,7-dimethylocta-2,6-dienyl]carbamate?
The InChIKey is UYIIDVRBTHKPLE-UKTHLTGXSA-N. The full InChI is InChI=1S/C14H25NO2/c1-11(2)7-6-8-13(5)9-10-15-14(16)17-12(3)4/h7,9,12H,6,8,10H2,1-5H3,(H,15,16)/b13-9+.
What are the key properties of propan-2-yl N-[(2E)-3,7-dimethylocta-2,6-dienyl]carbamate?
propan-2-yl N-[(2E)-3,7-dimethylocta-2,6-dienyl]carbamate has a molecular weight of 239.36 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[(2E)-3,7-dimethylocta-2,6-dienyl]carbamate is sourced from PubChem (CID 58895166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).