1-ethoxy-1-(1-ethoxyethoxy)ethane;3,7,11-trimethyldodeca-2,6,10-trien-1-ol

C23H44O4 — CID 173348329

IUPAC1-ethoxy-1-(1-ethoxyethoxy)ethane;3,7,11-trimethyldodeca-2,6,10-trien-1-ol
SMILESCC(C)=CCCC(C)=CCCC(C)=CCO.CCOC(C)OC(C)OCC
InChIInChI=1S/C15H26O.C8H18O3/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16;1-5-9-7(3)11-8(4)10-6-2/h7,9,11,16H,5-6,8,10,12H2,1-4H3;7-8H,5-6H2,1-4H3
InChIKeyCMAMLMDAAXNIID-UHFFFAOYSA-N
MW384.60 g/mol
LogP6.17
Rot. Bonds13

About 1-ethoxy-1-(1-ethoxyethoxy)ethane;3,7,11-trimethyldodeca-2,6,10-trien-1-ol

1-ethoxy-1-(1-ethoxyethoxy)ethane;3,7,11-trimethyldodeca-2,6,10-trien-1-ol (PubChem CID 173348329) has the molecular formula C23H44O4 and a molecular weight of 384.60 g/mol. Its IUPAC name is 1-ethoxy-1-(1-ethoxyethoxy)ethane;3,7,11-trimethyldodeca-2,6,10-trien-1-ol.

Molecular Properties

Compound Name1-ethoxy-1-(1-ethoxyethoxy)ethane;3,7,11-trimethyldodeca-2,6,10-trien-1-ol
PubChem CID173348329
Molecular FormulaC23H44O4
Molecular Weight384.60 g/mol
Exact Mass384.32
IUPAC Name1-ethoxy-1-(1-ethoxyethoxy)ethane;3,7,11-trimethyldodeca-2,6,10-trien-1-ol
SMILESCC(C)=CCCC(C)=CCCC(C)=CCO.CCOC(C)OC(C)OCC
InChIInChI=1S/C15H26O.C8H18O3/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16;1-5-9-7(3)11-8(4)10-6-2/h7,9,11,16H,5-6,8,10,12H2,1-4H3;7-8H,5-6H2,1-4H3
InChIKeyCMAMLMDAAXNIID-UHFFFAOYSA-N
XLogP6.17
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.60
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethoxyethane;3,7,11-trimethyldodeca-2,6,10-trien-1-ol
CID 173407117
(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
(3E)-2-(1-ethoxyethoxy)-4,8-dimethylnona-3,7-dienenitrile
CID 10868752
(5E,9E)-2-(1-ethoxyethoxy)-11-hydroxy-4,5,9-trimethylundeca-5,9-dienenitrile
CID 10686333
(2E,6E,11S)-3,7,11,15-tetramethylhexadeca-2,6,14-trien-1-ol
CID 122388579
(5Z)-1,1-diethoxy-6,10-dimethylundeca-5,9-dien-2-one
CID 13291922
1,1-diethoxyethane;3,7-dimethylocta-2,6-dienal;propane-1,2,3-triol
CID 88617273
(5E,9E)-11-chloro-2-(1-ethoxyethoxy)-5,9-dimethylundeca-5,9-dienenitrile
CID 10710346
(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

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-1-(1-ethoxyethoxy)ethane;3,7,11-trimethyldodeca-2,6,10-trien-1-ol?
The IUPAC name of 1-ethoxy-1-(1-ethoxyethoxy)ethane;3,7,11-trimethyldodeca-2,6,10-trien-1-ol (CID 173348329) is 1-ethoxy-1-(1-ethoxyethoxy)ethane;3,7,11-trimethyldodeca-2,6,10-trien-1-ol.
What is the SMILES notation for 1-ethoxy-1-(1-ethoxyethoxy)ethane;3,7,11-trimethyldodeca-2,6,10-trien-1-ol?
The canonical SMILES for 1-ethoxy-1-(1-ethoxyethoxy)ethane;3,7,11-trimethyldodeca-2,6,10-trien-1-ol is CC(C)=CCCC(C)=CCCC(C)=CCO.CCOC(C)OC(C)OCC.
What is the InChIKey of 1-ethoxy-1-(1-ethoxyethoxy)ethane;3,7,11-trimethyldodeca-2,6,10-trien-1-ol?
The InChIKey is CMAMLMDAAXNIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O.C8H18O3/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16;1-5-9-7(3)11-8(4)10-6-2/h7,9,11,16H,5-6,8,10,12H2,1-4H3;7-8H,5-6H2,1-4H3.
What are the key properties of 1-ethoxy-1-(1-ethoxyethoxy)ethane;3,7,11-trimethyldodeca-2,6,10-trien-1-ol?
1-ethoxy-1-(1-ethoxyethoxy)ethane;3,7,11-trimethyldodeca-2,6,10-trien-1-ol has a molecular weight of 384.60 g/mol, XLogP of 6.17, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-1-(1-ethoxyethoxy)ethane;3,7,11-trimethyldodeca-2,6,10-trien-1-ol is sourced from PubChem (CID 173348329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).