(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyl-1-nitrosotetracosa-2,6,10,14,18,22-hexaene

C30H49NO — CID 118054389

IUPAC(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyl-1-nitrosotetracosa-2,6,10,14,18,22-hexaene
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CN=O
InChIInChI=1S/C30H49NO/c1-25(2)13-8-14-26(3)15-9-16-27(4)17-10-18-28(5)19-11-20-29(6)21-12-22-30(7)23-24-31-32/h13,15,17,19,21,23H,8-12,14,16,18,20,22,24H2,1-7H3/b26-15+,27-17+,28-19+,29-21+,30-23+
InChIKeyUSZSOPFXPVZWSB-MMSZMYIBSA-N
MW439.73 g/mol
LogP10.35
Rot. Bonds17

About (2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyl-1-nitrosotetracosa-2,6,10,14,18,22-hexaene

(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyl-1-nitrosotetracosa-2,6,10,14,18,22-hexaene (PubChem CID 118054389) has the molecular formula C30H49NO and a molecular weight of 439.73 g/mol. Its IUPAC name is (2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyl-1-nitrosotetracosa-2,6,10,14,18,22-hexaene.

Molecular Properties

Compound Name(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyl-1-nitrosotetracosa-2,6,10,14,18,22-hexaene
PubChem CID118054389
Molecular FormulaC30H49NO
Molecular Weight439.73 g/mol
Exact Mass439.38
IUPAC Name(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyl-1-nitrosotetracosa-2,6,10,14,18,22-hexaene
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CN=O
InChIInChI=1S/C30H49NO/c1-25(2)13-8-14-26(3)15-9-16-27(4)17-10-18-28(5)19-11-20-29(6)21-12-22-30(7)23-24-31-32/h13,15,17,19,21,23H,8-12,14,16,18,20,22,24H2,1-7H3/b26-15+,27-17+,28-19+,29-21+,30-23+
InChIKeyUSZSOPFXPVZWSB-MMSZMYIBSA-N
XLogP10.35
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.73
LogP ≤ 510.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(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
carbon dioxide;(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 174737986
2,6,10-trimethyl-12-nitrosododeca-2,6,9-triene
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(6E,10E,15E)-2,6,10,16,20-pentamethylhenicosa-2,6,10,15,19-pentaene
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(4E,8E,12E,16E)-5,9,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid
CID 102141695
(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene;phosphoric acid
CID 174586289
(2E,6Z)-1-chloro-3,7,11-trimethyldodeca-2,6,10-triene
CID 10752589
(6E,10E,14E,18E)-2,6,11,15,19-pentamethylhenicosa-2,6,10,14,18-pentaene
CID 91751137

Frequently Asked Questions

What is the IUPAC name of (2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyl-1-nitrosotetracosa-2,6,10,14,18,22-hexaene?
The IUPAC name of (2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyl-1-nitrosotetracosa-2,6,10,14,18,22-hexaene (CID 118054389) is (2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyl-1-nitrosotetracosa-2,6,10,14,18,22-hexaene.
What is the SMILES notation for (2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyl-1-nitrosotetracosa-2,6,10,14,18,22-hexaene?
The canonical SMILES for (2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyl-1-nitrosotetracosa-2,6,10,14,18,22-hexaene is CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CN=O.
What is the InChIKey of (2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyl-1-nitrosotetracosa-2,6,10,14,18,22-hexaene?
The InChIKey is USZSOPFXPVZWSB-MMSZMYIBSA-N. The full InChI is InChI=1S/C30H49NO/c1-25(2)13-8-14-26(3)15-9-16-27(4)17-10-18-28(5)19-11-20-29(6)21-12-22-30(7)23-24-31-32/h13,15,17,19,21,23H,8-12,14,16,18,20,22,24H2,1-7H3/b26-15+,27-17+,28-19+,29-21+,30-23+.
What are the key properties of (2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyl-1-nitrosotetracosa-2,6,10,14,18,22-hexaene?
(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyl-1-nitrosotetracosa-2,6,10,14,18,22-hexaene has a molecular weight of 439.73 g/mol, XLogP of 10.35, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyl-1-nitrosotetracosa-2,6,10,14,18,22-hexaene is sourced from PubChem (CID 118054389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).