2-ethylhexa-2,4-dienyl carbamate

C9H15NO2 — CID 123678203

IUPAC2-ethylhexa-2,4-dienyl carbamate
SMILESCC=CC=C(CC)COC(N)=O
InChIInChI=1S/C9H15NO2/c1-3-5-6-8(4-2)7-12-9(10)11/h3,5-6H,4,7H2,1-2H3,(H2,10,11)
InChIKeyAWHUGVJENOSSHY-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.99
Rot. Bonds4

About 2-ethylhexa-2,4-dienyl carbamate

2-ethylhexa-2,4-dienyl carbamate (PubChem CID 123678203) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 2-ethylhexa-2,4-dienyl carbamate.

Molecular Properties

Compound Name2-ethylhexa-2,4-dienyl carbamate
PubChem CID123678203
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name2-ethylhexa-2,4-dienyl carbamate
SMILESCC=CC=C(CC)COC(N)=O
InChIInChI=1S/C9H15NO2/c1-3-5-6-8(4-2)7-12-9(10)11/h3,5-6H,4,7H2,1-2H3,(H2,10,11)
InChIKeyAWHUGVJENOSSHY-UHFFFAOYSA-N
XLogP1.99
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-2,2-dimethylhepta-3,5-dienamide
CID 123768641
2-ethylbut-2-enyl propanoate
CID 90757213
(4Z,6Z)-4-ethylocta-1,4,6-triene;methanamine
CID 142945126
ethyl 2-hydroxyhexa-2,4-dienoate
CID 88829669
(2E,4E)-5-ethyl-7-methylocta-2,4-diene
CID 173194163
(2Z,4E)-2-ethyl-N-methylhexa-2,4-dien-1-amine
CID 55298161
acetaldehyde;ethyl carbamate
CID 23340289
5-ethyl-7-methylnona-2,4-diene
CID 123846326
(2E,4E,7Z,9Z)-5-ethylundeca-2,4,7,9-tetraen-3-amine
CID 89336328
ethyl (3E,5Z)-3-methylhepta-3,5-dienoate
CID 59963772
ethyl carbamate
CID 161409576
ethyl carbamate
CID 21202847

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexa-2,4-dienyl carbamate?
The IUPAC name of 2-ethylhexa-2,4-dienyl carbamate (CID 123678203) is 2-ethylhexa-2,4-dienyl carbamate.
What is the SMILES notation for 2-ethylhexa-2,4-dienyl carbamate?
The canonical SMILES for 2-ethylhexa-2,4-dienyl carbamate is CC=CC=C(CC)COC(N)=O.
What is the InChIKey of 2-ethylhexa-2,4-dienyl carbamate?
The InChIKey is AWHUGVJENOSSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-3-5-6-8(4-2)7-12-9(10)11/h3,5-6H,4,7H2,1-2H3,(H2,10,11).
What are the key properties of 2-ethylhexa-2,4-dienyl carbamate?
2-ethylhexa-2,4-dienyl carbamate has a molecular weight of 169.22 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexa-2,4-dienyl carbamate is sourced from PubChem (CID 123678203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).