icosan-8-yl dodecanoate

C32H64O2 — CID 175390267

IUPACicosan-8-yl dodecanoate
SMILESCCCCCCCCCCCCC(CCCCCCC)OC(=O)CCCCCCCCCCC
InChIInChI=1S/C32H64O2/c1-4-7-10-13-15-17-19-20-23-26-29-31(28-25-22-12-9-6-3)34-32(33)30-27-24-21-18-16-14-11-8-5-2/h31H,4-30H2,1-3H3
InChIKeyJMEFECNPJLCNKZ-UHFFFAOYSA-N
MW480.86 g/mol
LogP11.49
Rot. Bonds28

About icosan-8-yl dodecanoate

icosan-8-yl dodecanoate (PubChem CID 175390267) has the molecular formula C32H64O2 and a molecular weight of 480.86 g/mol. Its IUPAC name is icosan-8-yl dodecanoate.

Molecular Properties

Compound Nameicosan-8-yl dodecanoate
PubChem CID175390267
Molecular FormulaC32H64O2
Molecular Weight480.86 g/mol
Exact Mass480.49
IUPAC Nameicosan-8-yl dodecanoate
SMILESCCCCCCCCCCCCC(CCCCCCC)OC(=O)CCCCCCCCCCC
InChIInChI=1S/C32H64O2/c1-4-7-10-13-15-17-19-20-23-26-29-31(28-25-22-12-9-6-3)34-32(33)30-27-24-21-18-16-14-11-8-5-2/h31H,4-30H2,1-3H3
InChIKeyJMEFECNPJLCNKZ-UHFFFAOYSA-N
XLogP11.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds28
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.86
LogP ≤ 511.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

undecan-6-yl octadecanoate
CID 164901581
icosan-10-yl decanoate
CID 152733830
octacosan-10-yl octadecanoate
CID 158256200
heptadecan-9-yl hexanoate
CID 163299458
undecan-5-yl hexanoate
CID 89466850
dodecan-5-yl nonanoate
CID 86190865
nonan-5-yl octanoate
CID 175395766
henicosan-11-yl 9-oxooctadecanoate
CID 170650514
diheptadecan-9-yl 8-oxopentadecanedioate
CID 168798841
henicosan-11-yl 7-oxooctadecanoate
CID 171774127
7-docosanoyloxytetracosanoic acid
CID 133050791
15-tetracosanoyloxydocosanoic acid
CID 133051688

Frequently Asked Questions

What is the IUPAC name of icosan-8-yl dodecanoate?
The IUPAC name of icosan-8-yl dodecanoate (CID 175390267) is icosan-8-yl dodecanoate.
What is the SMILES notation for icosan-8-yl dodecanoate?
The canonical SMILES for icosan-8-yl dodecanoate is CCCCCCCCCCCCC(CCCCCCC)OC(=O)CCCCCCCCCCC.
What is the InChIKey of icosan-8-yl dodecanoate?
The InChIKey is JMEFECNPJLCNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H64O2/c1-4-7-10-13-15-17-19-20-23-26-29-31(28-25-22-12-9-6-3)34-32(33)30-27-24-21-18-16-14-11-8-5-2/h31H,4-30H2,1-3H3.
What are the key properties of icosan-8-yl dodecanoate?
icosan-8-yl dodecanoate has a molecular weight of 480.86 g/mol, XLogP of 11.49, 28 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for icosan-8-yl dodecanoate is sourced from PubChem (CID 175390267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).