(2Z,6E,10E)-2-ethoxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene

C22H38O — CID 175768643

IUPAC(2Z,6E,10E)-2-ethoxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene
SMILESCCO/C(C)=C(/C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C22H38O/c1-8-23-22(7)21(6)17-11-16-20(5)15-10-14-19(4)13-9-12-18(2)3/h12,14,16H,8-11,13,15,17H2,1-7H3/b19-14+,20-16+,22-21-
InChIKeyVPFUBJOTOMIMOR-QEKFHWPGSA-N
MW318.55 g/mol
LogP7.52
Rot. Bonds11

About (2Z,6E,10E)-2-ethoxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene

(2Z,6E,10E)-2-ethoxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene (PubChem CID 175768643) has the molecular formula C22H38O and a molecular weight of 318.55 g/mol. Its IUPAC name is (2Z,6E,10E)-2-ethoxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene.

Molecular Properties

Compound Name(2Z,6E,10E)-2-ethoxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene
PubChem CID175768643
Molecular FormulaC22H38O
Molecular Weight318.55 g/mol
Exact Mass318.29
IUPAC Name(2Z,6E,10E)-2-ethoxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene
SMILESCCO/C(C)=C(/C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C22H38O/c1-8-23-22(7)21(6)17-11-16-20(5)15-10-14-19(4)13-9-12-18(2)3/h12,14,16H,8-11,13,15,17H2,1-7H3/b19-14+,20-16+,22-21-
InChIKeyVPFUBJOTOMIMOR-QEKFHWPGSA-N
XLogP7.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.55
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

ethyl (2E,6E,10E,14E)-2,3,7,11,15,19-hexamethylicosa-2,6,10,14,18-pentaenoate
CID 88897643
ethyl (4Z,8Z,12Z,16Z,20Z,24Z,28Z,32Z,36Z,40Z,44Z,48E,52E)-5,9,13,17,21,25,29,33,37,41,45,49,53,57-tetradecamethyloctapentaconta-4,8,12,16,20,24,28,32,36,40,44,48,52,56-tetradecaenoate
CID 11491628
ethyl (2Z,6E,10E)-2-chloro-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoate
CID 168749422
ethyl (2E,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoate
CID 53482566
ethyl (2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoate
CID 5366011
ethyl 3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenoate
CID 57102795
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
(6E,10E,14E,18E)-2,6,11,15,19-pentamethylhenicosa-2,6,10,14,18-pentaene
CID 91751137
ethyl 7,11-dimethyl-3-oxododeca-6,10-dienoate
CID 54120364

Frequently Asked Questions

What is the IUPAC name of (2Z,6E,10E)-2-ethoxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene?
The IUPAC name of (2Z,6E,10E)-2-ethoxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene (CID 175768643) is (2Z,6E,10E)-2-ethoxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene.
What is the SMILES notation for (2Z,6E,10E)-2-ethoxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene?
The canonical SMILES for (2Z,6E,10E)-2-ethoxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene is CCO/C(C)=C(/C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C.
What is the InChIKey of (2Z,6E,10E)-2-ethoxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene?
The InChIKey is VPFUBJOTOMIMOR-QEKFHWPGSA-N. The full InChI is InChI=1S/C22H38O/c1-8-23-22(7)21(6)17-11-16-20(5)15-10-14-19(4)13-9-12-18(2)3/h12,14,16H,8-11,13,15,17H2,1-7H3/b19-14+,20-16+,22-21-.
What are the key properties of (2Z,6E,10E)-2-ethoxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene?
(2Z,6E,10E)-2-ethoxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene has a molecular weight of 318.55 g/mol, XLogP of 7.52, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,6E,10E)-2-ethoxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene is sourced from PubChem (CID 175768643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).