[(2Z,4Z)-hexa-2,4-dienyl] sulfamate

C6H11NO3S — CID 134484581

IUPAC[(2Z,4Z)-hexa-2,4-dienyl] sulfamate
SMILESC/C=C\C=C/COS(N)(=O)=O
InChIInChI=1S/C6H11NO3S/c1-2-3-4-5-6-10-11(7,8)9/h2-5H,6H2,1H3,(H2,7,8,9)/b3-2-,5-4-
InChIKeyRPTOITILJICROL-LDIADDGTSA-N
MW177.23 g/mol
LogP0.34
Rot. Bonds4

About [(2Z,4Z)-hexa-2,4-dienyl] sulfamate

[(2Z,4Z)-hexa-2,4-dienyl] sulfamate (PubChem CID 134484581) has the molecular formula C6H11NO3S and a molecular weight of 177.23 g/mol. Its IUPAC name is [(2Z,4Z)-hexa-2,4-dienyl] sulfamate.

Molecular Properties

Compound Name[(2Z,4Z)-hexa-2,4-dienyl] sulfamate
PubChem CID134484581
Molecular FormulaC6H11NO3S
Molecular Weight177.23 g/mol
Exact Mass177.05
IUPAC Name[(2Z,4Z)-hexa-2,4-dienyl] sulfamate
SMILESC/C=C\C=C/COS(N)(=O)=O
InChIInChI=1S/C6H11NO3S/c1-2-3-4-5-6-10-11(7,8)9/h2-5H,6H2,1H3,(H2,7,8,9)/b3-2-,5-4-
InChIKeyRPTOITILJICROL-LDIADDGTSA-N
XLogP0.34
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.23
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2Z,4Z)-hexa-2,4-dienyl] sulfamate?
The IUPAC name of [(2Z,4Z)-hexa-2,4-dienyl] sulfamate (CID 134484581) is [(2Z,4Z)-hexa-2,4-dienyl] sulfamate.
What is the SMILES notation for [(2Z,4Z)-hexa-2,4-dienyl] sulfamate?
The canonical SMILES for [(2Z,4Z)-hexa-2,4-dienyl] sulfamate is C/C=C\C=C/COS(N)(=O)=O.
What is the InChIKey of [(2Z,4Z)-hexa-2,4-dienyl] sulfamate?
The InChIKey is RPTOITILJICROL-LDIADDGTSA-N. The full InChI is InChI=1S/C6H11NO3S/c1-2-3-4-5-6-10-11(7,8)9/h2-5H,6H2,1H3,(H2,7,8,9)/b3-2-,5-4-.
What are the key properties of [(2Z,4Z)-hexa-2,4-dienyl] sulfamate?
[(2Z,4Z)-hexa-2,4-dienyl] sulfamate has a molecular weight of 177.23 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z,4Z)-hexa-2,4-dienyl] sulfamate is sourced from PubChem (CID 134484581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).