8-undecanoyloxyoctyl undecanoate

C30H58O4 — CID 90370349

IUPAC8-undecanoyloxyoctyl undecanoate
SMILESCCCCCCCCCCC(=O)OCCCCCCCCOC(=O)CCCCCCCCCC
InChIInChI=1S/C30H58O4/c1-3-5-7-9-11-13-17-21-25-29(31)33-27-23-19-15-16-20-24-28-34-30(32)26-22-18-14-12-10-8-6-4-2/h3-28H2,1-2H3
InChIKeyDNVVGKDHQRIZMG-UHFFFAOYSA-N
MW482.79 g/mol
LogP9.48
Rot. Bonds27

About 8-undecanoyloxyoctyl undecanoate

8-undecanoyloxyoctyl undecanoate (PubChem CID 90370349) has the molecular formula C30H58O4 and a molecular weight of 482.79 g/mol. Its IUPAC name is 8-undecanoyloxyoctyl undecanoate.

Molecular Properties

Compound Name8-undecanoyloxyoctyl undecanoate
PubChem CID90370349
Molecular FormulaC30H58O4
Molecular Weight482.79 g/mol
Exact Mass482.43
IUPAC Name8-undecanoyloxyoctyl undecanoate
SMILESCCCCCCCCCCC(=O)OCCCCCCCCOC(=O)CCCCCCCCCC
InChIInChI=1S/C30H58O4/c1-3-5-7-9-11-13-17-21-25-29(31)33-27-23-19-15-16-20-24-28-34-30(32)26-22-18-14-12-10-8-6-4-2/h3-28H2,1-2H3
InChIKeyDNVVGKDHQRIZMG-UHFFFAOYSA-N
XLogP9.48
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds27
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.79
LogP ≤ 59.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-undecanoyloxyoctyl undecanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

octacosyl octacosanoate
CID 71369196
14-O-[14-[14-oxo-14-(14-tetradecanoyloxytetradecoxy)tetradecanoyl]oxytetradecyl] 1-O-(14-tetradecanoyloxytetradecyl) tetradecanedioate
CID 102181695
dodecyl henicosanoate
CID 170848157
icosyl tricosanoate
CID 168953067
nonadecyl tridecanoate
CID 159824193
1-O-heptyl 10-O-pentadecyl decanedioate
CID 91729401
tetradecyl hexadecanoate;tetradecyl octadecanoate
CID 175830855
nonyl heptanoate
CID 53437836
hexadecyl dotriacontanoate
CID 71587965
dioctyl hexanedioate
CID 161382548
14-O-[14-[14-oxo-14-[14-[14-oxo-14-(14-tetradecanoyloxytetradecoxy)tetradecanoyl]oxytetradecoxy]tetradecanoyl]oxytetradecyl] 1-O-(14-tetradecanoyloxytetradecyl) tetradecanedioate
CID 102181696
diheptyl octadecanedioate
CID 87117426

Frequently Asked Questions

What is the IUPAC name of 8-undecanoyloxyoctyl undecanoate?
The IUPAC name of 8-undecanoyloxyoctyl undecanoate (CID 90370349) is 8-undecanoyloxyoctyl undecanoate.
What is the SMILES notation for 8-undecanoyloxyoctyl undecanoate?
The canonical SMILES for 8-undecanoyloxyoctyl undecanoate is CCCCCCCCCCC(=O)OCCCCCCCCOC(=O)CCCCCCCCCC.
What is the InChIKey of 8-undecanoyloxyoctyl undecanoate?
The InChIKey is DNVVGKDHQRIZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H58O4/c1-3-5-7-9-11-13-17-21-25-29(31)33-27-23-19-15-16-20-24-28-34-30(32)26-22-18-14-12-10-8-6-4-2/h3-28H2,1-2H3.
What are the key properties of 8-undecanoyloxyoctyl undecanoate?
8-undecanoyloxyoctyl undecanoate has a molecular weight of 482.79 g/mol, XLogP of 9.48, 27 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-undecanoyloxyoctyl undecanoate is sourced from PubChem (CID 90370349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).