(5Z)-5-nonylidenenonadec-18-enal

C28H52O — CID 87998044

IUPAC(5Z)-5-nonylidenenonadec-18-enal
SMILESC=CCCCCCCCCCCCC/C(=C/CCCCCCCC)CCCC=O
InChIInChI=1S/C28H52O/c1-3-5-7-9-11-12-13-14-15-17-19-21-25-28(26-22-23-27-29)24-20-18-16-10-8-6-4-2/h3,24,27H,1,4-23,25-26H2,2H3/b28-24-
InChIKeyOTYHKVTVFRUWIR-COOPMVRXSA-N
MW404.72 g/mol
LogP9.90
Rot. Bonds24

About (5Z)-5-nonylidenenonadec-18-enal

(5Z)-5-nonylidenenonadec-18-enal (PubChem CID 87998044) has the molecular formula C28H52O and a molecular weight of 404.72 g/mol. Its IUPAC name is (5Z)-5-nonylidenenonadec-18-enal.

Molecular Properties

Compound Name(5Z)-5-nonylidenenonadec-18-enal
PubChem CID87998044
Molecular FormulaC28H52O
Molecular Weight404.72 g/mol
Exact Mass404.40
IUPAC Name(5Z)-5-nonylidenenonadec-18-enal
SMILESC=CCCCCCCCCCCCC/C(=C/CCCCCCCC)CCCC=O
InChIInChI=1S/C28H52O/c1-3-5-7-9-11-12-13-14-15-17-19-21-25-28(26-22-23-27-29)24-20-18-16-10-8-6-4-2/h3,24,27H,1,4-23,25-26H2,2H3/b28-24-
InChIKeyOTYHKVTVFRUWIR-COOPMVRXSA-N
XLogP9.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds24
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.72
LogP ≤ 59.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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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CID 123204509
28-hexylpentaconta-1,28-diene
CID 90932256
19-tetradecylideneheptatriaconta-1,28-diene
CID 173321921
dec-1-ene;dodec-1-ene;19-pentadecylideneheptatriaconta-1,28-diene;undec-1-ene
CID 173410314
nonanal;oct-1-ene
CID 157284500
heptanal;hept-1-ene
CID 174946758
heptanal;undec-10-enoic acid
CID 118865645
6-but-3-enylundec-5-ene
CID 175604852
7-but-3-enylheptadeca-1,7,16-triene
CID 56610542
pentacos-1-en-11-one
CID 21420755
tricos-1-en-11-one
CID 146680996
pentadec-14-en-7-one
CID 11528685

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-nonylidenenonadec-18-enal?
The IUPAC name of (5Z)-5-nonylidenenonadec-18-enal (CID 87998044) is (5Z)-5-nonylidenenonadec-18-enal.
What is the SMILES notation for (5Z)-5-nonylidenenonadec-18-enal?
The canonical SMILES for (5Z)-5-nonylidenenonadec-18-enal is C=CCCCCCCCCCCCC/C(=C/CCCCCCCC)CCCC=O.
What is the InChIKey of (5Z)-5-nonylidenenonadec-18-enal?
The InChIKey is OTYHKVTVFRUWIR-COOPMVRXSA-N. The full InChI is InChI=1S/C28H52O/c1-3-5-7-9-11-12-13-14-15-17-19-21-25-28(26-22-23-27-29)24-20-18-16-10-8-6-4-2/h3,24,27H,1,4-23,25-26H2,2H3/b28-24-.
What are the key properties of (5Z)-5-nonylidenenonadec-18-enal?
(5Z)-5-nonylidenenonadec-18-enal has a molecular weight of 404.72 g/mol, XLogP of 9.90, 24 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-nonylidenenonadec-18-enal is sourced from PubChem (CID 87998044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).