oxolane-2,5-dione;4-oxo-9-propan-2-yloxynonanoic acid;4-propan-2-yloxybutan-1-amine

C23H43NO8 — CID 162066347

IUPACoxolane-2,5-dione;4-oxo-9-propan-2-yloxynonanoic acid;4-propan-2-yloxybutan-1-amine
SMILESCC(C)OCCCCCC(=O)CCC(=O)O.CC(C)OCCCCN.O=C1CCC(=O)O1
InChIInChI=1S/C12H22O4.C7H17NO.C4H4O3/c1-10(2)16-9-5-3-4-6-11(13)7-8-12(14)15;1-7(2)9-6-4-3-5-8;5-3-1-2-4(6)7-3/h10H,3-9H2,1-2H3,(H,14,15);7H,3-6,8H2,1-2H3;1-2H2
InChIKeyZAMUOXVJYYROBA-UHFFFAOYSA-N
MW461.60 g/mol
LogP3.41
Rot. Bonds15

About oxolane-2,5-dione;4-oxo-9-propan-2-yloxynonanoic acid;4-propan-2-yloxybutan-1-amine

oxolane-2,5-dione;4-oxo-9-propan-2-yloxynonanoic acid;4-propan-2-yloxybutan-1-amine (PubChem CID 162066347) has the molecular formula C23H43NO8 and a molecular weight of 461.60 g/mol. Its IUPAC name is oxolane-2,5-dione;4-oxo-9-propan-2-yloxynonanoic acid;4-propan-2-yloxybutan-1-amine.

Molecular Properties

Compound Nameoxolane-2,5-dione;4-oxo-9-propan-2-yloxynonanoic acid;4-propan-2-yloxybutan-1-amine
PubChem CID162066347
Molecular FormulaC23H43NO8
Molecular Weight461.60 g/mol
Exact Mass461.30
IUPAC Nameoxolane-2,5-dione;4-oxo-9-propan-2-yloxynonanoic acid;4-propan-2-yloxybutan-1-amine
SMILESCC(C)OCCCCCC(=O)CCC(=O)O.CC(C)OCCCCN.O=C1CCC(=O)O1
InChIInChI=1S/C12H22O4.C7H17NO.C4H4O3/c1-10(2)16-9-5-3-4-6-11(13)7-8-12(14)15;1-7(2)9-6-4-3-5-8;5-3-1-2-4(6)7-3/h10H,3-9H2,1-2H3,(H,14,15);7H,3-6,8H2,1-2H3;1-2H2
InChIKeyZAMUOXVJYYROBA-UHFFFAOYSA-N
XLogP3.41
TPSA142.22 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.60
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze oxolane-2,5-dione;4-oxo-9-propan-2-yloxynonanoic acid;4-propan-2-yloxybutan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

12-amino-7-oxododecanoic acid
CID 4206597
7-amino-N-(3-propan-2-yloxypropyl)heptanamide
CID 61275030
N,N-diethylethanamine;hexadecan-1-amine;4-(hexadecylamino)-4-oxobutanoic acid;methane;oxolane-2,5-dione
CID 167643265
11-aminoundecanoic acid;ethane
CID 144914161
7-amino-N-methyl-N-(2-propan-2-yloxyethyl)heptanamide
CID 81056335
heptanedioic acid;hexane-1,6-diamine
CID 174639050
nonanedioic acid;tridecane-1,13-diamine
CID 21330241
5-[2-[2-[2-(5-aminopentoxy)ethoxy]ethoxy]ethoxy]pentanoic acid
CID 137483570
9-aminononanoic acid;9-bromodecanoic acid
CID 87177753
2-(5-aminopentoxy)butanoic acid
CID 82352847
6-aminohexanoic acid;ethane;molecular hydrogen
CID 143775887
6-aminohexanoic acid;1-hydroxypyrrolidine-2,5-dione
CID 66780304

Frequently Asked Questions

What is the IUPAC name of oxolane-2,5-dione;4-oxo-9-propan-2-yloxynonanoic acid;4-propan-2-yloxybutan-1-amine?
The IUPAC name of oxolane-2,5-dione;4-oxo-9-propan-2-yloxynonanoic acid;4-propan-2-yloxybutan-1-amine (CID 162066347) is oxolane-2,5-dione;4-oxo-9-propan-2-yloxynonanoic acid;4-propan-2-yloxybutan-1-amine.
What is the SMILES notation for oxolane-2,5-dione;4-oxo-9-propan-2-yloxynonanoic acid;4-propan-2-yloxybutan-1-amine?
The canonical SMILES for oxolane-2,5-dione;4-oxo-9-propan-2-yloxynonanoic acid;4-propan-2-yloxybutan-1-amine is CC(C)OCCCCCC(=O)CCC(=O)O.CC(C)OCCCCN.O=C1CCC(=O)O1.
What is the InChIKey of oxolane-2,5-dione;4-oxo-9-propan-2-yloxynonanoic acid;4-propan-2-yloxybutan-1-amine?
The InChIKey is ZAMUOXVJYYROBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O4.C7H17NO.C4H4O3/c1-10(2)16-9-5-3-4-6-11(13)7-8-12(14)15;1-7(2)9-6-4-3-5-8;5-3-1-2-4(6)7-3/h10H,3-9H2,1-2H3,(H,14,15);7H,3-6,8H2,1-2H3;1-2H2.
What are the key properties of oxolane-2,5-dione;4-oxo-9-propan-2-yloxynonanoic acid;4-propan-2-yloxybutan-1-amine?
oxolane-2,5-dione;4-oxo-9-propan-2-yloxynonanoic acid;4-propan-2-yloxybutan-1-amine has a molecular weight of 461.60 g/mol, XLogP of 3.41, 15 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for oxolane-2,5-dione;4-oxo-9-propan-2-yloxynonanoic acid;4-propan-2-yloxybutan-1-amine is sourced from PubChem (CID 162066347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).