ethoxyethane;3,7,11-trimethyldodeca-2,6,10-trien-1-ol

C19H36O2 — CID 173407117

IUPACethoxyethane;3,7,11-trimethyldodeca-2,6,10-trien-1-ol
SMILESCC(C)=CCCC(C)=CCCC(C)=CCO.CCOCC
InChIInChI=1S/C15H26O.C4H10O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16;1-3-5-4-2/h7,9,11,16H,5-6,8,10,12H2,1-4H3;3-4H2,1-2H3
InChIKeyUCAVYRDLHJAOAR-UHFFFAOYSA-N
MW296.50 g/mol
LogP5.44
Rot. Bonds9

About ethoxyethane;3,7,11-trimethyldodeca-2,6,10-trien-1-ol

ethoxyethane;3,7,11-trimethyldodeca-2,6,10-trien-1-ol (PubChem CID 173407117) has the molecular formula C19H36O2 and a molecular weight of 296.50 g/mol. Its IUPAC name is ethoxyethane;3,7,11-trimethyldodeca-2,6,10-trien-1-ol.

Molecular Properties

Compound Nameethoxyethane;3,7,11-trimethyldodeca-2,6,10-trien-1-ol
PubChem CID173407117
Molecular FormulaC19H36O2
Molecular Weight296.50 g/mol
Exact Mass296.27
IUPAC Nameethoxyethane;3,7,11-trimethyldodeca-2,6,10-trien-1-ol
SMILESCC(C)=CCCC(C)=CCCC(C)=CCO.CCOCC
InChIInChI=1S/C15H26O.C4H10O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16;1-3-5-4-2/h7,9,11,16H,5-6,8,10,12H2,1-4H3;3-4H2,1-2H3
InChIKeyUCAVYRDLHJAOAR-UHFFFAOYSA-N
XLogP5.44
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.50
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E,6E,10E,14E,18E,22E,26Z,30Z,34Z)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-ol
CID 172806438
(2Z,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-ol
CID 90659053
(2E)-3,7-dimethylocta-2,6-dien-1-ol;hydrochloride
CID 126649589
14-(ethoxymethoxy)-2,6,10-trimethyltetradeca-2,6,10-triene
CID 57281469
1-ethoxy-1-(1-ethoxyethoxy)ethane;3,7,11-trimethyldodeca-2,6,10-trien-1-ol
CID 173348329
(2E)-3,7-dimethylocta-2,6-dien-1-ol;1-hexoxyhexane
CID 174942074
(2E,6E,10E)-6,10-dimethyl-2-(4-methylpent-3-enyl)dodeca-2,6,10-triene-1,12-diol
CID 10236560
(2Z,6E,10E)-6,10-dimethyl-2-(4-methylpent-3-enyl)dodeca-2,6,10-triene-1,12-diol
CID 23466450
(2E,4R,6E,10E)-4-deuterio-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol
CID 25239942
(2Z,6E)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-6-methylocta-2,6-diene-1,8-diol;methoxymethane
CID 23466441
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318

Frequently Asked Questions

What is the IUPAC name of ethoxyethane;3,7,11-trimethyldodeca-2,6,10-trien-1-ol?
The IUPAC name of ethoxyethane;3,7,11-trimethyldodeca-2,6,10-trien-1-ol (CID 173407117) is ethoxyethane;3,7,11-trimethyldodeca-2,6,10-trien-1-ol.
What is the SMILES notation for ethoxyethane;3,7,11-trimethyldodeca-2,6,10-trien-1-ol?
The canonical SMILES for ethoxyethane;3,7,11-trimethyldodeca-2,6,10-trien-1-ol is CC(C)=CCCC(C)=CCCC(C)=CCO.CCOCC.
What is the InChIKey of ethoxyethane;3,7,11-trimethyldodeca-2,6,10-trien-1-ol?
The InChIKey is UCAVYRDLHJAOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O.C4H10O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16;1-3-5-4-2/h7,9,11,16H,5-6,8,10,12H2,1-4H3;3-4H2,1-2H3.
What are the key properties of ethoxyethane;3,7,11-trimethyldodeca-2,6,10-trien-1-ol?
ethoxyethane;3,7,11-trimethyldodeca-2,6,10-trien-1-ol has a molecular weight of 296.50 g/mol, XLogP of 5.44, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;3,7,11-trimethyldodeca-2,6,10-trien-1-ol is sourced from PubChem (CID 173407117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).