22-ethenoxy-2,6,10,15,19-pentamethyldocosa-2,6,11,14,18-pentaene

C29H48O — CID 57278514

IUPAC22-ethenoxy-2,6,10,15,19-pentamethyldocosa-2,6,11,14,18-pentaene
SMILESC=COCCCC(C)=CCCC(C)=CCC=CC(C)CCC=C(C)CCC=C(C)C
InChIInChI=1S/C29H48O/c1-8-30-24-14-23-29(7)22-13-20-27(5)17-10-9-16-26(4)19-12-21-28(6)18-11-15-25(2)3/h8-9,15-17,21-22,26H,1,10-14,18-20,23-24H2,2-7H3
InChIKeyJDYYZECXVLANBL-UHFFFAOYSA-N
MW412.70 g/mol
LogP9.65
Rot. Bonds17

About 22-ethenoxy-2,6,10,15,19-pentamethyldocosa-2,6,11,14,18-pentaene

22-ethenoxy-2,6,10,15,19-pentamethyldocosa-2,6,11,14,18-pentaene (PubChem CID 57278514) has the molecular formula C29H48O and a molecular weight of 412.70 g/mol. Its IUPAC name is 22-ethenoxy-2,6,10,15,19-pentamethyldocosa-2,6,11,14,18-pentaene.

Molecular Properties

Compound Name22-ethenoxy-2,6,10,15,19-pentamethyldocosa-2,6,11,14,18-pentaene
PubChem CID57278514
Molecular FormulaC29H48O
Molecular Weight412.70 g/mol
Exact Mass412.37
IUPAC Name22-ethenoxy-2,6,10,15,19-pentamethyldocosa-2,6,11,14,18-pentaene
SMILESC=COCCCC(C)=CCCC(C)=CCC=CC(C)CCC=C(C)CCC=C(C)C
InChIInChI=1S/C29H48O/c1-8-30-24-14-23-29(7)22-13-20-27(5)17-10-9-16-26(4)19-12-21-28(6)18-11-15-25(2)3/h8-9,15-17,21-22,26H,1,10-14,18-20,23-24H2,2-7H3
InChIKeyJDYYZECXVLANBL-UHFFFAOYSA-N
XLogP9.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.70
LogP ≤ 59.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(6E,11E,18E)-2,6,10,19,23-pentamethyl-15-methylidenetetracosa-2,6,11,18,22-pentaene
CID 162475328
(6E,11E)-2,6,10-trimethyltrideca-2,6,11-triene
CID 148658393
(10S)-2,6,10-trimethyltrideca-2,6,11-triene
CID 57030104
(3E)-5,9,13-trimethyltetradeca-3,8,12-trien-2-one
CID 91460202
(3S)-N,N-diethyl-3,7,11-trimethyldodeca-1,6,10-trien-1-amine
CID 123394667
3,7-dimethylocta-1,6-diene;(6E)-2,6-dimethylocta-2,6-diene
CID 165013974
3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87-docosamethyloctaoctaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86-henicosaen-1-ol
CID 139698181
3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87,91-tricosamethyldononaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86,90-docosaen-1-ol
CID 139698175
(11Z)-6,10-dimethyltrideca-2,6,11-triene
CID 91509510
(6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38E,42E)-3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-6,10,14,18,22,26,30,34,38,42,46-undecaen-1-ol
CID 91820232
(6E,10E,14E,18E,22E,26Z,30E,34E,38E,42E,46Z,50E,54E,58E,62E,66E,70E,74Z)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79-icosamethyloctaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78-nonadecaen-1-ol
CID 11818896
ethane;[(6E,10E)-7,11,15-trimethylhexadeca-3,6,10,14-tetraen-2-yl]benzene
CID 158695222

Frequently Asked Questions

What is the IUPAC name of 22-ethenoxy-2,6,10,15,19-pentamethyldocosa-2,6,11,14,18-pentaene?
The IUPAC name of 22-ethenoxy-2,6,10,15,19-pentamethyldocosa-2,6,11,14,18-pentaene (CID 57278514) is 22-ethenoxy-2,6,10,15,19-pentamethyldocosa-2,6,11,14,18-pentaene.
What is the SMILES notation for 22-ethenoxy-2,6,10,15,19-pentamethyldocosa-2,6,11,14,18-pentaene?
The canonical SMILES for 22-ethenoxy-2,6,10,15,19-pentamethyldocosa-2,6,11,14,18-pentaene is C=COCCCC(C)=CCCC(C)=CCC=CC(C)CCC=C(C)CCC=C(C)C.
What is the InChIKey of 22-ethenoxy-2,6,10,15,19-pentamethyldocosa-2,6,11,14,18-pentaene?
The InChIKey is JDYYZECXVLANBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H48O/c1-8-30-24-14-23-29(7)22-13-20-27(5)17-10-9-16-26(4)19-12-21-28(6)18-11-15-25(2)3/h8-9,15-17,21-22,26H,1,10-14,18-20,23-24H2,2-7H3.
What are the key properties of 22-ethenoxy-2,6,10,15,19-pentamethyldocosa-2,6,11,14,18-pentaene?
22-ethenoxy-2,6,10,15,19-pentamethyldocosa-2,6,11,14,18-pentaene has a molecular weight of 412.70 g/mol, XLogP of 9.65, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 22-ethenoxy-2,6,10,15,19-pentamethyldocosa-2,6,11,14,18-pentaene is sourced from PubChem (CID 57278514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).