[chloro(nonanoyloxy)indiganyl] nonanoate

C18H34ClInO4 — CID 144651011

IUPAC[chloro(nonanoyloxy)indiganyl] nonanoate
SMILESCCCCCCCCC(=O)O[In](Cl)OC(=O)CCCCCCCC
InChIInChI=1S/2C9H18O2.ClH.In/c2*1-2-3-4-5-6-7-8-9(10)11;;/h2*2-8H2,1H3,(H,10,11);1H;/q;;;+3/p-3
InChIKeyUMIQKEFCTCSVFN-UHFFFAOYSA-K
MW464.74 g/mol
LogP5.80
Rot. Bonds16

About [chloro(nonanoyloxy)indiganyl] nonanoate

[chloro(nonanoyloxy)indiganyl] nonanoate (PubChem CID 144651011) has the molecular formula C18H34ClInO4 and a molecular weight of 464.74 g/mol. Its IUPAC name is [chloro(nonanoyloxy)indiganyl] nonanoate.

Molecular Properties

Compound Name[chloro(nonanoyloxy)indiganyl] nonanoate
PubChem CID144651011
Molecular FormulaC18H34ClInO4
Molecular Weight464.74 g/mol
Exact Mass464.12
IUPAC Name[chloro(nonanoyloxy)indiganyl] nonanoate
SMILESCCCCCCCCC(=O)O[In](Cl)OC(=O)CCCCCCCC
InChIInChI=1S/2C9H18O2.ClH.In/c2*1-2-3-4-5-6-7-8-9(10)11;;/h2*2-8H2,1H3,(H,10,11);1H;/q;;;+3/p-3
InChIKeyUMIQKEFCTCSVFN-UHFFFAOYSA-K
XLogP5.80
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.74
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[bromo(decanoyloxy)indiganyl] decanoate
CID 144651092
heptadecanoyl heptadecaneperoxoate
CID 53438513
henicosanoyl docosanoate
CID 175302110
pentadecanoyl hexadecanoate
CID 87499774
ditetradecanoyl hexanedioate
CID 175560209
heptanoyl octaneperoxoate
CID 142686679
hexatriacontanoyl heptatriacontanoate
CID 135353262
octadecanoyl octatriacontanoate
CID 141042185
octanoyl tridecaneperoxoate
CID 141014591
ethane;octadecanoyl octadecanoate
CID 174636018
methyl heptadecanoate
CID 15609
dodecanoyl dodecanoate;sulfane
CID 174888621

Frequently Asked Questions

What is the IUPAC name of [chloro(nonanoyloxy)indiganyl] nonanoate?
The IUPAC name of [chloro(nonanoyloxy)indiganyl] nonanoate (CID 144651011) is [chloro(nonanoyloxy)indiganyl] nonanoate.
What is the SMILES notation for [chloro(nonanoyloxy)indiganyl] nonanoate?
The canonical SMILES for [chloro(nonanoyloxy)indiganyl] nonanoate is CCCCCCCCC(=O)O[In](Cl)OC(=O)CCCCCCCC.
What is the InChIKey of [chloro(nonanoyloxy)indiganyl] nonanoate?
The InChIKey is UMIQKEFCTCSVFN-UHFFFAOYSA-K. The full InChI is InChI=1S/2C9H18O2.ClH.In/c2*1-2-3-4-5-6-7-8-9(10)11;;/h2*2-8H2,1H3,(H,10,11);1H;/q;;;+3/p-3.
What are the key properties of [chloro(nonanoyloxy)indiganyl] nonanoate?
[chloro(nonanoyloxy)indiganyl] nonanoate has a molecular weight of 464.74 g/mol, XLogP of 5.80, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [chloro(nonanoyloxy)indiganyl] nonanoate is sourced from PubChem (CID 144651011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).