(E)-5,9,13,17-tetramethyl-1-nitrosooctadec-4-ene

C22H43NO — CID 88939219

IUPAC(E)-5,9,13,17-tetramethyl-1-nitrosooctadec-4-ene
SMILESC/C(=C\CCCN=O)CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C22H43NO/c1-19(2)11-8-13-21(4)15-10-17-22(5)16-9-14-20(3)12-6-7-18-23-24/h12,19,21-22H,6-11,13-18H2,1-5H3/b20-12+
InChIKeyZMAKJAVLXZPDTR-UDWIEESQSA-N
MW337.59 g/mol
LogP7.92
Rot. Bonds16

About (E)-5,9,13,17-tetramethyl-1-nitrosooctadec-4-ene

(E)-5,9,13,17-tetramethyl-1-nitrosooctadec-4-ene (PubChem CID 88939219) has the molecular formula C22H43NO and a molecular weight of 337.59 g/mol. Its IUPAC name is (E)-5,9,13,17-tetramethyl-1-nitrosooctadec-4-ene.

Molecular Properties

Compound Name(E)-5,9,13,17-tetramethyl-1-nitrosooctadec-4-ene
PubChem CID88939219
Molecular FormulaC22H43NO
Molecular Weight337.59 g/mol
Exact Mass337.33
IUPAC Name(E)-5,9,13,17-tetramethyl-1-nitrosooctadec-4-ene
SMILESC/C(=C\CCCN=O)CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C22H43NO/c1-19(2)11-8-13-21(4)15-10-17-22(5)16-9-14-20(3)12-6-7-18-23-24/h12,19,21-22H,6-11,13-18H2,1-5H3/b20-12+
InChIKeyZMAKJAVLXZPDTR-UDWIEESQSA-N
XLogP7.92
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.59
LogP ≤ 57.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(14E,19E)-2,6,10,14,20,24,28,32-octamethyltritriaconta-14,19-dien-17-one
CID 6272650
(E)-3,7,11,15-tetramethyl(2,5,6,9,10,13,14-13C7)hexadec-2-en-1-ol
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(E)-2,6,10,13-tetramethyltetradec-6-ene
CID 58292425
methyl (E,9R,13R)-5,9,13,17-tetramethyloctadec-4-enoate
CID 24840684
(7R,11R)-3,7,11,15-tetramethylhexadec-2-enal
CID 54256190
(E,7S,11S)-1-bromo-3,7,11,15-tetramethylhexadec-2-ene
CID 12905050
CID 160640482
CID 160640482
(Z,7R,11R)-3,7,11,15-tetramethylhexadec-2-enal
CID 14035235
(E,7R,11R)-1-bromo-3,7,11,15-tetramethylhexadec-2-ene
CID 12905048
(E)-3,7,11,15,20,24,28-heptamethylnonacos-2-en-1-ol
CID 174796442
3,3-dihydroxy-8,12,16,20-tetramethylhenicos-7-en-4-one
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Frequently Asked Questions

What is the IUPAC name of (E)-5,9,13,17-tetramethyl-1-nitrosooctadec-4-ene?
The IUPAC name of (E)-5,9,13,17-tetramethyl-1-nitrosooctadec-4-ene (CID 88939219) is (E)-5,9,13,17-tetramethyl-1-nitrosooctadec-4-ene.
What is the SMILES notation for (E)-5,9,13,17-tetramethyl-1-nitrosooctadec-4-ene?
The canonical SMILES for (E)-5,9,13,17-tetramethyl-1-nitrosooctadec-4-ene is C/C(=C\CCCN=O)CCCC(C)CCCC(C)CCCC(C)C.
What is the InChIKey of (E)-5,9,13,17-tetramethyl-1-nitrosooctadec-4-ene?
The InChIKey is ZMAKJAVLXZPDTR-UDWIEESQSA-N. The full InChI is InChI=1S/C22H43NO/c1-19(2)11-8-13-21(4)15-10-17-22(5)16-9-14-20(3)12-6-7-18-23-24/h12,19,21-22H,6-11,13-18H2,1-5H3/b20-12+.
What are the key properties of (E)-5,9,13,17-tetramethyl-1-nitrosooctadec-4-ene?
(E)-5,9,13,17-tetramethyl-1-nitrosooctadec-4-ene has a molecular weight of 337.59 g/mol, XLogP of 7.92, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5,9,13,17-tetramethyl-1-nitrosooctadec-4-ene is sourced from PubChem (CID 88939219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).