di(pentanoyloxy)indiganyl pentanoate

C15H27InO6 — CID 16717023

IUPACdi(pentanoyloxy)indiganyl pentanoate
SMILESCCCCC(=O)O[In](OC(=O)CCCC)OC(=O)CCCC
InChIInChI=1S/3C5H10O2.In/c3*1-2-3-4-5(6)7;/h3*2-4H2,1H3,(H,6,7);/q;;;+3/p-3
InChIKeyPPTCRNPCSRCATB-UHFFFAOYSA-K
MW418.19 g/mol
LogP3.17
Rot. Bonds12

About di(pentanoyloxy)indiganyl pentanoate

di(pentanoyloxy)indiganyl pentanoate (PubChem CID 16717023) has the molecular formula C15H27InO6 and a molecular weight of 418.19 g/mol. Its IUPAC name is di(pentanoyloxy)indiganyl pentanoate.

Molecular Properties

Compound Namedi(pentanoyloxy)indiganyl pentanoate
PubChem CID16717023
Molecular FormulaC15H27InO6
Molecular Weight418.19 g/mol
Exact Mass418.08
IUPAC Namedi(pentanoyloxy)indiganyl pentanoate
SMILESCCCCC(=O)O[In](OC(=O)CCCC)OC(=O)CCCC
InChIInChI=1S/3C5H10O2.In/c3*1-2-3-4-5(6)7;/h3*2-4H2,1H3,(H,6,7);/q;;;+3/p-3
InChIKeyPPTCRNPCSRCATB-UHFFFAOYSA-K
XLogP3.17
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.19
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

dipentanoyl hexanedioate
CID 174373362
[bromo(decanoyloxy)indiganyl] decanoate
CID 144651092
[chloro(nonanoyloxy)indiganyl] nonanoate
CID 144651011
fluoro pentanoate;hydrochloride
CID 140774390
hydrazine;methyl pentanoate
CID 88709772
(2-amino-2-oxoethyl) pentanoate
CID 142660312
trimethyl(pentanoyloxy)azanium
CID 101455348
bismuthane;propyl pentanoate
CID 174550006
pentanoyloxysulfinyl pentanoate
CID 54331487
aminophosphanyl pentanoate
CID 175591629
butaneperoxoic acid;hexaneperoxoic acid;pentaneperoxoic acid
CID 175089027
nonyl pentanoate
CID 568602

Frequently Asked Questions

What is the IUPAC name of di(pentanoyloxy)indiganyl pentanoate?
The IUPAC name of di(pentanoyloxy)indiganyl pentanoate (CID 16717023) is di(pentanoyloxy)indiganyl pentanoate.
What is the SMILES notation for di(pentanoyloxy)indiganyl pentanoate?
The canonical SMILES for di(pentanoyloxy)indiganyl pentanoate is CCCCC(=O)O[In](OC(=O)CCCC)OC(=O)CCCC.
What is the InChIKey of di(pentanoyloxy)indiganyl pentanoate?
The InChIKey is PPTCRNPCSRCATB-UHFFFAOYSA-K. The full InChI is InChI=1S/3C5H10O2.In/c3*1-2-3-4-5(6)7;/h3*2-4H2,1H3,(H,6,7);/q;;;+3/p-3.
What are the key properties of di(pentanoyloxy)indiganyl pentanoate?
di(pentanoyloxy)indiganyl pentanoate has a molecular weight of 418.19 g/mol, XLogP of 3.17, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for di(pentanoyloxy)indiganyl pentanoate is sourced from PubChem (CID 16717023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).