[(1E,3Z)-5-methylhexa-1,3-dienyl] N,N-di(propan-2-yl)carbamate

C14H25NO2 — CID 13436540

IUPAC[(1E,3Z)-5-methylhexa-1,3-dienyl] N,N-di(propan-2-yl)carbamate
SMILESCC(C)/C=C\C=C\OC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C14H25NO2/c1-11(2)9-7-8-10-17-14(16)15(12(3)4)13(5)6/h7-13H,1-6H3/b9-7-,10-8+
InChIKeyRWZRZQIVMVDZBK-FKJILZIQSA-N
MW239.36 g/mol
LogP3.97
Rot. Bonds5

About [(1E,3Z)-5-methylhexa-1,3-dienyl] N,N-di(propan-2-yl)carbamate

[(1E,3Z)-5-methylhexa-1,3-dienyl] N,N-di(propan-2-yl)carbamate (PubChem CID 13436540) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is [(1E,3Z)-5-methylhexa-1,3-dienyl] N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Name[(1E,3Z)-5-methylhexa-1,3-dienyl] N,N-di(propan-2-yl)carbamate
PubChem CID13436540
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name[(1E,3Z)-5-methylhexa-1,3-dienyl] N,N-di(propan-2-yl)carbamate
SMILESCC(C)/C=C\C=C\OC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C14H25NO2/c1-11(2)9-7-8-10-17-14(16)15(12(3)4)13(5)6/h7-13H,1-6H3/b9-7-,10-8+
InChIKeyRWZRZQIVMVDZBK-FKJILZIQSA-N
XLogP3.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.97
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 [(1E,3Z)-5-methylhexa-1,3-dienyl] N,N-di(propan-2-yl)carbamate?
The IUPAC name of [(1E,3Z)-5-methylhexa-1,3-dienyl] N,N-di(propan-2-yl)carbamate (CID 13436540) is [(1E,3Z)-5-methylhexa-1,3-dienyl] N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for [(1E,3Z)-5-methylhexa-1,3-dienyl] N,N-di(propan-2-yl)carbamate?
The canonical SMILES for [(1E,3Z)-5-methylhexa-1,3-dienyl] N,N-di(propan-2-yl)carbamate is CC(C)/C=C\C=C\OC(=O)N(C(C)C)C(C)C.
What is the InChIKey of [(1E,3Z)-5-methylhexa-1,3-dienyl] N,N-di(propan-2-yl)carbamate?
The InChIKey is RWZRZQIVMVDZBK-FKJILZIQSA-N. The full InChI is InChI=1S/C14H25NO2/c1-11(2)9-7-8-10-17-14(16)15(12(3)4)13(5)6/h7-13H,1-6H3/b9-7-,10-8+.
What are the key properties of [(1E,3Z)-5-methylhexa-1,3-dienyl] N,N-di(propan-2-yl)carbamate?
[(1E,3Z)-5-methylhexa-1,3-dienyl] N,N-di(propan-2-yl)carbamate has a molecular weight of 239.36 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,3Z)-5-methylhexa-1,3-dienyl] N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 13436540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).