[(Z)-undec-2-enyl] 6-[3-decoxy-2-(dimethylamino)propoxy]hexanoate

C32H63NO4 — CID 71766409

IUPAC[(Z)-undec-2-enyl] 6-[3-decoxy-2-(dimethylamino)propoxy]hexanoate
SMILESCCCCCCCC/C=C\COC(=O)CCCCCOCC(COCCCCCCCCCC)N(C)C
InChIInChI=1S/C32H63NO4/c1-5-7-9-11-13-15-17-19-24-28-37-32(34)25-21-20-23-27-36-30-31(33(3)4)29-35-26-22-18-16-14-12-10-8-6-2/h19,24,31H,5-18,20-23,25-30H2,1-4H3/b24-19-
InChIKeyFHDQTZCYCYJRNU-CLCOLTQESA-N
MW525.86 g/mol
LogP8.50
Rot. Bonds29

About [(Z)-undec-2-enyl] 6-[3-decoxy-2-(dimethylamino)propoxy]hexanoate

[(Z)-undec-2-enyl] 6-[3-decoxy-2-(dimethylamino)propoxy]hexanoate (PubChem CID 71766409) has the molecular formula C32H63NO4 and a molecular weight of 525.86 g/mol. Its IUPAC name is [(Z)-undec-2-enyl] 6-[3-decoxy-2-(dimethylamino)propoxy]hexanoate.

Molecular Properties

Compound Name[(Z)-undec-2-enyl] 6-[3-decoxy-2-(dimethylamino)propoxy]hexanoate
PubChem CID71766409
Molecular FormulaC32H63NO4
Molecular Weight525.86 g/mol
Exact Mass525.48
IUPAC Name[(Z)-undec-2-enyl] 6-[3-decoxy-2-(dimethylamino)propoxy]hexanoate
SMILESCCCCCCCC/C=C\COC(=O)CCCCCOCC(COCCCCCCCCCC)N(C)C
InChIInChI=1S/C32H63NO4/c1-5-7-9-11-13-15-17-19-24-28-37-32(34)25-21-20-23-27-36-30-31(33(3)4)29-35-26-22-18-16-14-12-10-8-6-2/h19,24,31H,5-18,20-23,25-30H2,1-4H3/b24-19-
InChIKeyFHDQTZCYCYJRNU-CLCOLTQESA-N
XLogP8.50
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds29
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.86
LogP ≤ 58.50
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'}

Analyze [(Z)-undec-2-enyl] 6-[3-decoxy-2-(dimethylamino)propoxy]hexanoate with MolForge

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Related Compounds

undec-2-enyl 6-[2-(dimethylamino)-3-hexoxypropoxy]hexanoate
CID 123199410
undec-2-enyl 6-[2-(dimethylamino)-3-octoxypropoxy]hexanoate
CID 123624103
ethyl 16-[2-(dimethylamino)-3-nonoxypropoxy]hexadec-7-enoate
CID 168947716
1-[(Z)-docos-13-enoxy]-N,N-dimethyl-3-octoxypropan-2-amine
CID 89480635
(2S)-1-docos-13-enoxy-N,N-dimethyl-3-octoxypropan-2-amine
CID 123596802
methyl 4-[2-(dimethylamino)-3-octadeca-9,12-dienoxypropoxy]butanoate
CID 123754215
methyl (Z)-16-[2-(dimethylamino)-3-(5-methoxy-5-oxopentoxy)propoxy]hexadec-7-enoate
CID 71765826
oct-2-enyl hexadecanoate
CID 154498237
[(Z)-4-[(E)-octadec-9-enoyl]oxybut-2-enyl] (Z)-octadec-9-enoate
CID 5355450
[(Z)-non-2-enyl] decanoate
CID 88564768
[(Z)-non-2-enyl] 5-methoxypentanoate
CID 153434938
1-hexoxy-N,N-dimethyl-3-[(9Z,12Z)-octadeca-9,12-dienoxy]propan-2-amine
CID 90455974

Frequently Asked Questions

What is the IUPAC name of [(Z)-undec-2-enyl] 6-[3-decoxy-2-(dimethylamino)propoxy]hexanoate?
The IUPAC name of [(Z)-undec-2-enyl] 6-[3-decoxy-2-(dimethylamino)propoxy]hexanoate (CID 71766409) is [(Z)-undec-2-enyl] 6-[3-decoxy-2-(dimethylamino)propoxy]hexanoate.
What is the SMILES notation for [(Z)-undec-2-enyl] 6-[3-decoxy-2-(dimethylamino)propoxy]hexanoate?
The canonical SMILES for [(Z)-undec-2-enyl] 6-[3-decoxy-2-(dimethylamino)propoxy]hexanoate is CCCCCCCC/C=C\COC(=O)CCCCCOCC(COCCCCCCCCCC)N(C)C.
What is the InChIKey of [(Z)-undec-2-enyl] 6-[3-decoxy-2-(dimethylamino)propoxy]hexanoate?
The InChIKey is FHDQTZCYCYJRNU-CLCOLTQESA-N. The full InChI is InChI=1S/C32H63NO4/c1-5-7-9-11-13-15-17-19-24-28-37-32(34)25-21-20-23-27-36-30-31(33(3)4)29-35-26-22-18-16-14-12-10-8-6-2/h19,24,31H,5-18,20-23,25-30H2,1-4H3/b24-19-.
What are the key properties of [(Z)-undec-2-enyl] 6-[3-decoxy-2-(dimethylamino)propoxy]hexanoate?
[(Z)-undec-2-enyl] 6-[3-decoxy-2-(dimethylamino)propoxy]hexanoate has a molecular weight of 525.86 g/mol, XLogP of 8.50, 29 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-undec-2-enyl] 6-[3-decoxy-2-(dimethylamino)propoxy]hexanoate is sourced from PubChem (CID 71766409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).