6-carbamoyloxyhex-4-enyl carbamate

C8H14N2O4 — CID 174801317

IUPAC6-carbamoyloxyhex-4-enyl carbamate
SMILESNC(=O)OCC=CCCCOC(N)=O
InChIInChI=1S/C8H14N2O4/c9-7(11)13-5-3-1-2-4-6-14-8(10)12/h1,3H,2,4-6H2,(H2,9,11)(H2,10,12)
InChIKeyNEFXDTQSCWJLGM-UHFFFAOYSA-N
MW202.21 g/mol
LogP0.51
Rot. Bonds6

About 6-carbamoyloxyhex-4-enyl carbamate

6-carbamoyloxyhex-4-enyl carbamate (PubChem CID 174801317) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is 6-carbamoyloxyhex-4-enyl carbamate.

Molecular Properties

Compound Name6-carbamoyloxyhex-4-enyl carbamate
PubChem CID174801317
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Name6-carbamoyloxyhex-4-enyl carbamate
SMILESNC(=O)OCC=CCCCOC(N)=O
InChIInChI=1S/C8H14N2O4/c9-7(11)13-5-3-1-2-4-6-14-8(10)12/h1,3H,2,4-6H2,(H2,9,11)(H2,10,12)
InChIKeyNEFXDTQSCWJLGM-UHFFFAOYSA-N
XLogP0.51
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(E)-oct-2-enyl] carbamate
CID 87240762
9-carbamoyloxynonyl carbamate
CID 87883969
acetic acid;(Z)-tetradec-5-ene;[(Z)-tetradec-9-enyl] carbamate
CID 174912776
1-O-[(E)-dec-4-enyl] 4-O-[(E)-dodec-2-enyl] butanedioate
CID 91715869
16-acetyloxyhexadeca-4,12-dienyl acetate
CID 54570942
[(4E,12E)-16-acetyloxyhexadeca-4,12-dienyl] acetate
CID 23331437
7-oxooct-2-enyl acetate
CID 71362074
[(2E,8Z)-tetradeca-2,8-dienyl] acetate
CID 177398223
[(4E,9E)-tetradeca-4,9-dienyl] acetate
CID 87225023
3-carbamoyloxypropyl prop-2-enoate
CID 58831010
20-acetyloxyicos-11-enyl acetate
CID 537116
[(2E,4E)-hepta-2,4-dienyl] carbamate
CID 125475387

Frequently Asked Questions

What is the IUPAC name of 6-carbamoyloxyhex-4-enyl carbamate?
The IUPAC name of 6-carbamoyloxyhex-4-enyl carbamate (CID 174801317) is 6-carbamoyloxyhex-4-enyl carbamate.
What is the SMILES notation for 6-carbamoyloxyhex-4-enyl carbamate?
The canonical SMILES for 6-carbamoyloxyhex-4-enyl carbamate is NC(=O)OCC=CCCCOC(N)=O.
What is the InChIKey of 6-carbamoyloxyhex-4-enyl carbamate?
The InChIKey is NEFXDTQSCWJLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4/c9-7(11)13-5-3-1-2-4-6-14-8(10)12/h1,3H,2,4-6H2,(H2,9,11)(H2,10,12).
What are the key properties of 6-carbamoyloxyhex-4-enyl carbamate?
6-carbamoyloxyhex-4-enyl carbamate has a molecular weight of 202.21 g/mol, XLogP of 0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-carbamoyloxyhex-4-enyl carbamate is sourced from PubChem (CID 174801317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).