ethane;(3E)-3-(2-ethoxyethoxymethyl)hexa-1,3,5-triene

C13H24O2 — CID 154661218

IUPACethane;(3E)-3-(2-ethoxyethoxymethyl)hexa-1,3,5-triene
SMILESC=C/C=C(\C=C)COCCOCC.CC
InChIInChI=1S/C11H18O2.C2H6/c1-4-7-11(5-2)10-13-9-8-12-6-3;1-2/h4-5,7H,1-2,6,8-10H2,3H3;1-2H3/b11-7+;
InChIKeyAAQOCMPNMYZAAD-RVDQCCQOSA-N
MW212.33 g/mol
LogP3.36
Rot. Bonds8

About ethane;(3E)-3-(2-ethoxyethoxymethyl)hexa-1,3,5-triene

ethane;(3E)-3-(2-ethoxyethoxymethyl)hexa-1,3,5-triene (PubChem CID 154661218) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is ethane;(3E)-3-(2-ethoxyethoxymethyl)hexa-1,3,5-triene.

Molecular Properties

Compound Nameethane;(3E)-3-(2-ethoxyethoxymethyl)hexa-1,3,5-triene
PubChem CID154661218
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Nameethane;(3E)-3-(2-ethoxyethoxymethyl)hexa-1,3,5-triene
SMILESC=C/C=C(\C=C)COCCOCC.CC
InChIInChI=1S/C11H18O2.C2H6/c1-4-7-11(5-2)10-13-9-8-12-6-3;1-2/h4-5,7H,1-2,6,8-10H2,3H3;1-2H3/b11-7+;
InChIKeyAAQOCMPNMYZAAD-RVDQCCQOSA-N
XLogP3.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3E)-3-(ethoxymethyl)hexa-1,3,5-triene
CID 87413665
(2E)-2-ethenyl-N-[6-(2-ethoxyethoxy)hex-1-en-2-yl]penta-2,4-dien-1-amine
CID 142463090
ethane;(3Z)-3-ethylhexa-1,3,5-triene;propane
CID 142061349
ethane;(3Z)-3-ethylhexa-1,3,5-triene;methane
CID 143457916
1-[(4Z)-4-ethenylhepta-4,6-dienyl]-4-(2-ethoxyethyl)piperazine
CID 177020946
(3Z)-3-ethylhexa-1,3,5-triene
CID 22044475
tert-butyl 6-[2-[2-[(2E)-2-ethenylpenta-2,4-dienoxy]ethoxy]ethoxy]hexanoate
CID 168969824
1,2-diethoxyethane;ethenamine
CID 160675526
(3E)-3-(2-methylprop-1-enoxymethyl)hexa-1,3,5-triene
CID 168899282
ethane;(3Z,5Z)-6-ethenyl-4-ethylnona-1,3,5-triene
CID 143653088
1,2-diethoxyethane;ethene
CID 158825770
[(2E)-2-ethenylpenta-2,4-dienyl] N-methylcarbamate
CID 142074520

Frequently Asked Questions

What is the IUPAC name of ethane;(3E)-3-(2-ethoxyethoxymethyl)hexa-1,3,5-triene?
The IUPAC name of ethane;(3E)-3-(2-ethoxyethoxymethyl)hexa-1,3,5-triene (CID 154661218) is ethane;(3E)-3-(2-ethoxyethoxymethyl)hexa-1,3,5-triene.
What is the SMILES notation for ethane;(3E)-3-(2-ethoxyethoxymethyl)hexa-1,3,5-triene?
The canonical SMILES for ethane;(3E)-3-(2-ethoxyethoxymethyl)hexa-1,3,5-triene is C=C/C=C(\C=C)COCCOCC.CC.
What is the InChIKey of ethane;(3E)-3-(2-ethoxyethoxymethyl)hexa-1,3,5-triene?
The InChIKey is AAQOCMPNMYZAAD-RVDQCCQOSA-N. The full InChI is InChI=1S/C11H18O2.C2H6/c1-4-7-11(5-2)10-13-9-8-12-6-3;1-2/h4-5,7H,1-2,6,8-10H2,3H3;1-2H3/b11-7+;.
What are the key properties of ethane;(3E)-3-(2-ethoxyethoxymethyl)hexa-1,3,5-triene?
ethane;(3E)-3-(2-ethoxyethoxymethyl)hexa-1,3,5-triene has a molecular weight of 212.33 g/mol, XLogP of 3.36, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3E)-3-(2-ethoxyethoxymethyl)hexa-1,3,5-triene is sourced from PubChem (CID 154661218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).