ethane;1-[(E)-8-ethoxyoct-2-enoxy]-4-methylcyclohexa-1,3-diene

C19H34O2 — CID 143806742

IUPACethane;1-[(E)-8-ethoxyoct-2-enoxy]-4-methylcyclohexa-1,3-diene
SMILESCC.CCOCCCCC/C=C/COC1=CC=C(C)CC1
InChIInChI=1S/C17H28O2.C2H6/c1-3-18-14-8-6-4-5-7-9-15-19-17-12-10-16(2)11-13-17;1-2/h7,9-10,12H,3-6,8,11,13-15H2,1-2H3;1-2H3/b9-7+;
InChIKeyVAEOYINGIHICAF-BXTVWIJMSA-N
MW294.48 g/mol
LogP5.81
Rot. Bonds10

About ethane;1-[(E)-8-ethoxyoct-2-enoxy]-4-methylcyclohexa-1,3-diene

ethane;1-[(E)-8-ethoxyoct-2-enoxy]-4-methylcyclohexa-1,3-diene (PubChem CID 143806742) has the molecular formula C19H34O2 and a molecular weight of 294.48 g/mol. Its IUPAC name is ethane;1-[(E)-8-ethoxyoct-2-enoxy]-4-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Nameethane;1-[(E)-8-ethoxyoct-2-enoxy]-4-methylcyclohexa-1,3-diene
PubChem CID143806742
Molecular FormulaC19H34O2
Molecular Weight294.48 g/mol
Exact Mass294.26
IUPAC Nameethane;1-[(E)-8-ethoxyoct-2-enoxy]-4-methylcyclohexa-1,3-diene
SMILESCC.CCOCCCCC/C=C/COC1=CC=C(C)CC1
InChIInChI=1S/C17H28O2.C2H6/c1-3-18-14-8-6-4-5-7-9-15-19-17-12-10-16(2)11-13-17;1-2/h7,9-10,12H,3-6,8,11,13-15H2,1-2H3;1-2H3/b9-7+;
InChIKeyVAEOYINGIHICAF-BXTVWIJMSA-N
XLogP5.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

1-(1-Ethoxy-vinyl)-cyclohexene
CID 14296312
1-(1-Butoxyethenyl)cyclohexene
CID 11019469
1-[(1E)-1-ethoxybuta-1,3-dienyl]cyclohexene
CID 11229119
3-methyl-2-octyl-2H-pyran
CID 85787136
1-(3-Methylbut-2-enoxy)cyclohexene
CID 86158325
5-[(2E,4E,6Z,8Z)-2,6-diethyl-7,8-difluoro-9-methoxy-5-methyldeca-2,4,6,8-tetraenoxy]-2-ethenyloxane
CID 143889307
6-methyl-5-[(2E)-3-(2,2,2-trifluoroethoxymethyl)hexa-2,5-dienyl]-3,4-dihydro-2H-pyran
CID 166655114
(3Z)-3-[(2E)-3-(fluoromethoxy)-4-methylpenta-2,4-dienylidene]oxepane
CID 167079765
1-[(E)-but-2-enoxy]cyclohexene
CID 11423696
1-(1-Butoxyethenyl)cyclopentene
CID 14296313
1-[(Z)-but-2-enoxy]cyclohexene
CID 101929700
8,9,18,19-Tetrahexoxytricyclo[14.4.0.06,11]icosa-1,2,3,4,5,7,9,11,12,13,14,15,17,19-tetradecaene
CID 132548308

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(E)-8-ethoxyoct-2-enoxy]-4-methylcyclohexa-1,3-diene?
The IUPAC name of ethane;1-[(E)-8-ethoxyoct-2-enoxy]-4-methylcyclohexa-1,3-diene (CID 143806742) is ethane;1-[(E)-8-ethoxyoct-2-enoxy]-4-methylcyclohexa-1,3-diene.
What is the SMILES notation for ethane;1-[(E)-8-ethoxyoct-2-enoxy]-4-methylcyclohexa-1,3-diene?
The canonical SMILES for ethane;1-[(E)-8-ethoxyoct-2-enoxy]-4-methylcyclohexa-1,3-diene is CC.CCOCCCCC/C=C/COC1=CC=C(C)CC1.
What is the InChIKey of ethane;1-[(E)-8-ethoxyoct-2-enoxy]-4-methylcyclohexa-1,3-diene?
The InChIKey is VAEOYINGIHICAF-BXTVWIJMSA-N. The full InChI is InChI=1S/C17H28O2.C2H6/c1-3-18-14-8-6-4-5-7-9-15-19-17-12-10-16(2)11-13-17;1-2/h7,9-10,12H,3-6,8,11,13-15H2,1-2H3;1-2H3/b9-7+;.
What are the key properties of ethane;1-[(E)-8-ethoxyoct-2-enoxy]-4-methylcyclohexa-1,3-diene?
ethane;1-[(E)-8-ethoxyoct-2-enoxy]-4-methylcyclohexa-1,3-diene has a molecular weight of 294.48 g/mol, XLogP of 5.81, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(E)-8-ethoxyoct-2-enoxy]-4-methylcyclohexa-1,3-diene is sourced from PubChem (CID 143806742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).