[(Z)-non-2-enyl] 10-[4-(dimethylamino)butanoyloxy]nonadecanoate

C34H65NO4 — CID 71815262

IUPAC[(Z)-non-2-enyl] 10-[4-(dimethylamino)butanoyloxy]nonadecanoate
SMILESCCCCCC/C=C\COC(=O)CCCCCCCCC(CCCCCCCCC)OC(=O)CCCN(C)C
InChIInChI=1S/C34H65NO4/c1-5-7-9-11-13-17-21-26-32(39-34(37)29-25-30-35(3)4)27-22-18-14-15-19-23-28-33(36)38-31-24-20-16-12-10-8-6-2/h20,24,32H,5-19,21-23,25-31H2,1-4H3/b24-20-
InChIKeyMZATYKUQTVHHOT-GFMRDNFCSA-N
MW551.90 g/mol
LogP9.57
Rot. Bonds29

About [(Z)-non-2-enyl] 10-[4-(dimethylamino)butanoyloxy]nonadecanoate

[(Z)-non-2-enyl] 10-[4-(dimethylamino)butanoyloxy]nonadecanoate (PubChem CID 71815262) has the molecular formula C34H65NO4 and a molecular weight of 551.90 g/mol. Its IUPAC name is [(Z)-non-2-enyl] 10-[4-(dimethylamino)butanoyloxy]nonadecanoate.

Molecular Properties

Compound Name[(Z)-non-2-enyl] 10-[4-(dimethylamino)butanoyloxy]nonadecanoate
PubChem CID71815262
Molecular FormulaC34H65NO4
Molecular Weight551.90 g/mol
Exact Mass551.49
IUPAC Name[(Z)-non-2-enyl] 10-[4-(dimethylamino)butanoyloxy]nonadecanoate
SMILESCCCCCC/C=C\COC(=O)CCCCCCCCC(CCCCCCCCC)OC(=O)CCCN(C)C
InChIInChI=1S/C34H65NO4/c1-5-7-9-11-13-17-21-26-32(39-34(37)29-25-30-35(3)4)27-22-18-14-15-19-23-28-33(36)38-31-24-20-16-12-10-8-6-2/h20,24,32H,5-19,21-23,25-31H2,1-4H3/b24-20-
InChIKeyMZATYKUQTVHHOT-GFMRDNFCSA-N
XLogP9.57
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds29
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.90
LogP ≤ 59.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

bis[(Z)-oct-2-enyl] 8-[4-(dimethylamino)butanoyloxy]pentadecanedioate
CID 58069916
1-O-[(Z)-dodec-3-enyl] 11-O-[(Z)-undec-2-enyl] 6-[4-(dimethylamino)butanoyloxy]undecanedioate
CID 58070074
non-2-enyl 9-[4-(dimethylamino)butanoyloxy]-17-non-2-enoxyheptadecanoate
CID 123545182
1-O-[(Z)-non-2-enyl] 9-O-tridecan-7-yl nonanedioate
CID 157416257
ethyl 8-[4-(dimethylamino)butanoyloxy]heptacosa-18,21-dienoate
CID 123151918
bis[(Z)-non-2-enyl] 9-[5-[methyl(propan-2-yl)amino]pentanoyloxy]heptadecanedioate
CID 58070120
methyl (Z)-19-[4-(dimethylamino)butanoyloxy]octacos-7-enoate
CID 71815122
(Z)-21-[4-(dimethylamino)butanoyloxy]triacont-9-enoic acid
CID 90008950
(Z)-21-[4-(dimethylamino)butanoyloxy]heptacos-9-enoic acid
CID 90009054
[(Z)-non-2-enyl] 6-[2-(dimethylamino)ethylsulfanylcarbonyl-(4-hexadecan-8-yloxy-4-oxobutyl)amino]hexanoate;[(Z)-non-2-enyl] 8-[2-(dimethylamino)ethylsulfanylcarbonyl-(4-oxo-4-pentadecan-8-yloxybutyl)amino]octanoate;[(Z)-non-2-enyl] 6-[2-(dimethylamino)ethylsulfanylcarbonyl-(5-oxo-5-pentadecan-8-yloxypentyl)amino]hexanoate;[(Z)-non-2-enyl] 8-[2-(dimethylamino)ethylsulfanylcarbonyl-(4-oxo-4-tridecan-7-yloxybutyl)amino]octanoate
CID 161048224
[(6Z,9Z,26Z,29Z)-pentatriaconta-6,9,26,29-tetraen-18-yl] 4-(dimethylamino)butanoate
CID 166138288
1-O-[2-[4-(dimethylamino)butanoyloxy]-3-[(9E,12E)-octadeca-9,12-dienoyl]oxypropyl] 7-O-heptadecan-9-yl heptanedioate
CID 175901869

Frequently Asked Questions

What is the IUPAC name of [(Z)-non-2-enyl] 10-[4-(dimethylamino)butanoyloxy]nonadecanoate?
The IUPAC name of [(Z)-non-2-enyl] 10-[4-(dimethylamino)butanoyloxy]nonadecanoate (CID 71815262) is [(Z)-non-2-enyl] 10-[4-(dimethylamino)butanoyloxy]nonadecanoate.
What is the SMILES notation for [(Z)-non-2-enyl] 10-[4-(dimethylamino)butanoyloxy]nonadecanoate?
The canonical SMILES for [(Z)-non-2-enyl] 10-[4-(dimethylamino)butanoyloxy]nonadecanoate is CCCCCC/C=C\COC(=O)CCCCCCCCC(CCCCCCCCC)OC(=O)CCCN(C)C.
What is the InChIKey of [(Z)-non-2-enyl] 10-[4-(dimethylamino)butanoyloxy]nonadecanoate?
The InChIKey is MZATYKUQTVHHOT-GFMRDNFCSA-N. The full InChI is InChI=1S/C34H65NO4/c1-5-7-9-11-13-17-21-26-32(39-34(37)29-25-30-35(3)4)27-22-18-14-15-19-23-28-33(36)38-31-24-20-16-12-10-8-6-2/h20,24,32H,5-19,21-23,25-31H2,1-4H3/b24-20-.
What are the key properties of [(Z)-non-2-enyl] 10-[4-(dimethylamino)butanoyloxy]nonadecanoate?
[(Z)-non-2-enyl] 10-[4-(dimethylamino)butanoyloxy]nonadecanoate has a molecular weight of 551.90 g/mol, XLogP of 9.57, 29 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-non-2-enyl] 10-[4-(dimethylamino)butanoyloxy]nonadecanoate is sourced from PubChem (CID 71815262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).