[(3Z)-2-methylidenehexa-3,5-dienyl] N-(2-ethylbutyl)carbamate

C14H23NO2 — CID 142118026

IUPAC[(3Z)-2-methylidenehexa-3,5-dienyl] N-(2-ethylbutyl)carbamate
SMILESC=C/C=C\C(=C)COC(=O)NCC(CC)CC
InChIInChI=1S/C14H23NO2/c1-5-8-9-12(4)11-17-14(16)15-10-13(6-2)7-3/h5,8-9,13H,1,4,6-7,10-11H2,2-3H3,(H,15,16)/b9-8-
InChIKeyXUVVNHJIZWXCJI-HJWRWDBZSA-N
MW237.34 g/mol
LogP3.45
Rot. Bonds8

About [(3Z)-2-methylidenehexa-3,5-dienyl] N-(2-ethylbutyl)carbamate

[(3Z)-2-methylidenehexa-3,5-dienyl] N-(2-ethylbutyl)carbamate (PubChem CID 142118026) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is [(3Z)-2-methylidenehexa-3,5-dienyl] N-(2-ethylbutyl)carbamate.

Molecular Properties

Compound Name[(3Z)-2-methylidenehexa-3,5-dienyl] N-(2-ethylbutyl)carbamate
PubChem CID142118026
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name[(3Z)-2-methylidenehexa-3,5-dienyl] N-(2-ethylbutyl)carbamate
SMILESC=C/C=C\C(=C)COC(=O)NCC(CC)CC
InChIInChI=1S/C14H23NO2/c1-5-8-9-12(4)11-17-14(16)15-10-13(6-2)7-3/h5,8-9,13H,1,4,6-7,10-11H2,2-3H3,(H,15,16)/b9-8-
InChIKeyXUVVNHJIZWXCJI-HJWRWDBZSA-N
XLogP3.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3Z)-2-methylidenehexa-3,5-dienyl] N-(2-ethylbutyl)carbamate?
The IUPAC name of [(3Z)-2-methylidenehexa-3,5-dienyl] N-(2-ethylbutyl)carbamate (CID 142118026) is [(3Z)-2-methylidenehexa-3,5-dienyl] N-(2-ethylbutyl)carbamate.
What is the SMILES notation for [(3Z)-2-methylidenehexa-3,5-dienyl] N-(2-ethylbutyl)carbamate?
The canonical SMILES for [(3Z)-2-methylidenehexa-3,5-dienyl] N-(2-ethylbutyl)carbamate is C=C/C=C\C(=C)COC(=O)NCC(CC)CC.
What is the InChIKey of [(3Z)-2-methylidenehexa-3,5-dienyl] N-(2-ethylbutyl)carbamate?
The InChIKey is XUVVNHJIZWXCJI-HJWRWDBZSA-N. The full InChI is InChI=1S/C14H23NO2/c1-5-8-9-12(4)11-17-14(16)15-10-13(6-2)7-3/h5,8-9,13H,1,4,6-7,10-11H2,2-3H3,(H,15,16)/b9-8-.
What are the key properties of [(3Z)-2-methylidenehexa-3,5-dienyl] N-(2-ethylbutyl)carbamate?
[(3Z)-2-methylidenehexa-3,5-dienyl] N-(2-ethylbutyl)carbamate has a molecular weight of 237.34 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z)-2-methylidenehexa-3,5-dienyl] N-(2-ethylbutyl)carbamate is sourced from PubChem (CID 142118026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).