decyl 2-octyltetradecanoate

C32H64O2 — CID 87368194

IUPACdecyl 2-octyltetradecanoate
SMILESCCCCCCCCCCCCC(CCCCCCCC)C(=O)OCCCCCCCCCC
InChIInChI=1S/C32H64O2/c1-4-7-10-13-16-18-19-20-23-26-29-31(28-25-22-15-12-9-6-3)32(33)34-30-27-24-21-17-14-11-8-5-2/h31H,4-30H2,1-3H3
InChIKeyZNPYSVOKPUORRJ-UHFFFAOYSA-N
MW480.86 g/mol
LogP11.35
Rot. Bonds28

About decyl 2-octyltetradecanoate

decyl 2-octyltetradecanoate (PubChem CID 87368194) has the molecular formula C32H64O2 and a molecular weight of 480.86 g/mol. Its IUPAC name is decyl 2-octyltetradecanoate.

Molecular Properties

Compound Namedecyl 2-octyltetradecanoate
PubChem CID87368194
Molecular FormulaC32H64O2
Molecular Weight480.86 g/mol
Exact Mass480.49
IUPAC Namedecyl 2-octyltetradecanoate
SMILESCCCCCCCCCCCCC(CCCCCCCC)C(=O)OCCCCCCCCCC
InChIInChI=1S/C32H64O2/c1-4-7-10-13-16-18-19-20-23-26-29-31(28-25-22-15-12-9-6-3)32(33)34-30-27-24-21-17-14-11-8-5-2/h31H,4-30H2,1-3H3
InChIKeyZNPYSVOKPUORRJ-UHFFFAOYSA-N
XLogP11.35
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 ≤ 511.35
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

tridecyl 2-hexadecylicosanoate
CID 159510432
decyl 2-hexylpentadecanoate
CID 175318740
undecyl 2-heptyltridecanoate
CID 174740301
undecyl 2-heptyldodecanoate
CID 174658610
hexadecyl 2-hexylicosanoate
CID 87088758
decyl 2-hexyltetradecanoate
CID 57466026
octyl 2-butyldocosanoate
CID 174740469
germane;pentyl 2-pentylheptanoate
CID 173457558
tetradecyl 2-butylhexanoate
CID 91318887
butyl 2-butyldocosanoate
CID 175080024
16-methylheptadecyl (2S)-2-hexyldecanoate
CID 99121761
6-aminohexyl 2-hexyloctanoate
CID 176644793

Frequently Asked Questions

What is the IUPAC name of decyl 2-octyltetradecanoate?
The IUPAC name of decyl 2-octyltetradecanoate (CID 87368194) is decyl 2-octyltetradecanoate.
What is the SMILES notation for decyl 2-octyltetradecanoate?
The canonical SMILES for decyl 2-octyltetradecanoate is CCCCCCCCCCCCC(CCCCCCCC)C(=O)OCCCCCCCCCC.
What is the InChIKey of decyl 2-octyltetradecanoate?
The InChIKey is ZNPYSVOKPUORRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H64O2/c1-4-7-10-13-16-18-19-20-23-26-29-31(28-25-22-15-12-9-6-3)32(33)34-30-27-24-21-17-14-11-8-5-2/h31H,4-30H2,1-3H3.
What are the key properties of decyl 2-octyltetradecanoate?
decyl 2-octyltetradecanoate has a molecular weight of 480.86 g/mol, XLogP of 11.35, 28 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decyl 2-octyltetradecanoate is sourced from PubChem (CID 87368194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).