ethane;(2E,4E,6E,8Z)-6-ethyl-5-methyldeca-2,4,6,8-tetraen-2-ol

C15H26O — CID 144690491

IUPACethane;(2E,4E,6E,8Z)-6-ethyl-5-methyldeca-2,4,6,8-tetraen-2-ol
SMILESC/C=C\C=C(CC)\C(C)=C\C=C(/C)O.CC
InChIInChI=1S/C13H20O.C2H6/c1-5-7-8-13(6-2)11(3)9-10-12(4)14;1-2/h5,7-10,14H,6H2,1-4H3;1-2H3/b7-5-,11-9+,12-10+,13-8+;
InChIKeyISCOQMUAFKORSX-MPDUBJGESA-N
MW222.37 g/mol
LogP5.33
Rot. Bonds4

About ethane;(2E,4E,6E,8Z)-6-ethyl-5-methyldeca-2,4,6,8-tetraen-2-ol

ethane;(2E,4E,6E,8Z)-6-ethyl-5-methyldeca-2,4,6,8-tetraen-2-ol (PubChem CID 144690491) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is ethane;(2E,4E,6E,8Z)-6-ethyl-5-methyldeca-2,4,6,8-tetraen-2-ol.

Molecular Properties

Compound Nameethane;(2E,4E,6E,8Z)-6-ethyl-5-methyldeca-2,4,6,8-tetraen-2-ol
PubChem CID144690491
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Nameethane;(2E,4E,6E,8Z)-6-ethyl-5-methyldeca-2,4,6,8-tetraen-2-ol
SMILESC/C=C\C=C(CC)\C(C)=C\C=C(/C)O.CC
InChIInChI=1S/C13H20O.C2H6/c1-5-7-8-13(6-2)11(3)9-10-12(4)14;1-2/h5,7-10,14H,6H2,1-4H3;1-2H3/b7-5-,11-9+,12-10+,13-8+;
InChIKeyISCOQMUAFKORSX-MPDUBJGESA-N
XLogP5.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.37
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze ethane;(2E,4E,6E,8Z)-6-ethyl-5-methyldeca-2,4,6,8-tetraen-2-ol with MolForge

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Related Compounds

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CID 123568888
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(2E,4Z,6Z)-4-ethyl-N-methylocta-2,4,6-triene-3-sulfonamide
CID 139304214
ethane;(5Z,7Z)-5-ethyl-N-[(Z)-prop-1-enyl]nona-5,7-dien-4-imine
CID 164902460
(3Z,5E,6E,8Z)-6-ethyl-5-ethylidenedeca-1,3,6,8-tetraene
CID 177369316
(2E,4Z)-N-methyl-2-prop-1-en-2-ylhexa-2,4-dien-1-amine
CID 142839677
4-ethyl-5-methylnona-2,3,5,7-tetraene
CID 173264693
(2E,4E,6Z)-3,4-dimethylocta-2,4,6-triene
CID 91748402
(4E,6E,8E,10E,12E,14E,16Z)-2,5,6,9,10,13,14-heptamethyloctadeca-2,4,6,8,10,12,14,16-octaene;sulfane
CID 159683667
(2E,4Z)-2-ethyl-1-phenylhexa-2,4-dien-1-imine
CID 89227013
ethane;(2E,4Z)-hepta-2,4-dien-2-ol
CID 142115176
(5E,7Z)-2-cyclobutylidene-5-ethylnona-5,7-dien-4-one
CID 89267675

Frequently Asked Questions

What is the IUPAC name of ethane;(2E,4E,6E,8Z)-6-ethyl-5-methyldeca-2,4,6,8-tetraen-2-ol?
The IUPAC name of ethane;(2E,4E,6E,8Z)-6-ethyl-5-methyldeca-2,4,6,8-tetraen-2-ol (CID 144690491) is ethane;(2E,4E,6E,8Z)-6-ethyl-5-methyldeca-2,4,6,8-tetraen-2-ol.
What is the SMILES notation for ethane;(2E,4E,6E,8Z)-6-ethyl-5-methyldeca-2,4,6,8-tetraen-2-ol?
The canonical SMILES for ethane;(2E,4E,6E,8Z)-6-ethyl-5-methyldeca-2,4,6,8-tetraen-2-ol is C/C=C\C=C(CC)\C(C)=C\C=C(/C)O.CC.
What is the InChIKey of ethane;(2E,4E,6E,8Z)-6-ethyl-5-methyldeca-2,4,6,8-tetraen-2-ol?
The InChIKey is ISCOQMUAFKORSX-MPDUBJGESA-N. The full InChI is InChI=1S/C13H20O.C2H6/c1-5-7-8-13(6-2)11(3)9-10-12(4)14;1-2/h5,7-10,14H,6H2,1-4H3;1-2H3/b7-5-,11-9+,12-10+,13-8+;.
What are the key properties of ethane;(2E,4E,6E,8Z)-6-ethyl-5-methyldeca-2,4,6,8-tetraen-2-ol?
ethane;(2E,4E,6E,8Z)-6-ethyl-5-methyldeca-2,4,6,8-tetraen-2-ol has a molecular weight of 222.37 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E,4E,6E,8Z)-6-ethyl-5-methyldeca-2,4,6,8-tetraen-2-ol is sourced from PubChem (CID 144690491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).