11,13-didecyltricosane

C43H88 — CID 91473894

IUPAC11,13-didecyltricosane
SMILESCCCCCCCCCCC(CCCCCCCCCC)CC(CCCCCCCCCC)CCCCCCCCCC
InChIInChI=1S/C43H88/c1-5-9-13-17-21-25-29-33-37-42(38-34-30-26-22-18-14-10-6-2)41-43(39-35-31-27-23-19-15-11-7-3)40-36-32-28-24-20-16-12-8-4/h42-43H,5-41H2,1-4H3
InChIKeyVSFKLSQOAUMRGQ-UHFFFAOYSA-N
MW605.18 g/mol
LogP16.73
Rot. Bonds38

About 11,13-didecyltricosane

11,13-didecyltricosane (PubChem CID 91473894) has the molecular formula C43H88 and a molecular weight of 605.18 g/mol. Its IUPAC name is 11,13-didecyltricosane.

Molecular Properties

Compound Name11,13-didecyltricosane
PubChem CID91473894
Molecular FormulaC43H88
Molecular Weight605.18 g/mol
Exact Mass604.69
IUPAC Name11,13-didecyltricosane
SMILESCCCCCCCCCCC(CCCCCCCCCC)CC(CCCCCCCCCC)CCCCCCCCCC
InChIInChI=1S/C43H88/c1-5-9-13-17-21-25-29-33-37-42(38-34-30-26-22-18-14-10-6-2)41-43(39-35-31-27-23-19-15-11-7-3)40-36-32-28-24-20-16-12-8-4/h42-43H,5-41H2,1-4H3
InChIKeyVSFKLSQOAUMRGQ-UHFFFAOYSA-N
XLogP16.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds38
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.18
LogP ≤ 516.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-heptyl-11-octylnonadecane
CID 91326024
5,7-dibutyltridecane
CID 14297331
8-butyl-10-pentylheptadecane
CID 91542009
8-heptyl-10-propyloctadecane
CID 90802423
7,9-dipropylhexadecane
CID 91047634
9-hexyl-7-propylheptadecane
CID 91243882
5,7-dibutylundecane;nonane
CID 159714693
9-ethyl-7-pentylhexadecane
CID 91283125
9-butyl-7-propylheptadecane
CID 91567761
9-ethyl-11-heptylnonadecane
CID 90975246
7-butyl-9-propylhexadecane
CID 91502397
8-pentyl-6,10-dipropylpentadecane
CID 58892246

Frequently Asked Questions

What is the IUPAC name of 11,13-didecyltricosane?
The IUPAC name of 11,13-didecyltricosane (CID 91473894) is 11,13-didecyltricosane.
What is the SMILES notation for 11,13-didecyltricosane?
The canonical SMILES for 11,13-didecyltricosane is CCCCCCCCCCC(CCCCCCCCCC)CC(CCCCCCCCCC)CCCCCCCCCC.
What is the InChIKey of 11,13-didecyltricosane?
The InChIKey is VSFKLSQOAUMRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H88/c1-5-9-13-17-21-25-29-33-37-42(38-34-30-26-22-18-14-10-6-2)41-43(39-35-31-27-23-19-15-11-7-3)40-36-32-28-24-20-16-12-8-4/h42-43H,5-41H2,1-4H3.
What are the key properties of 11,13-didecyltricosane?
11,13-didecyltricosane has a molecular weight of 605.18 g/mol, XLogP of 16.73, 38 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11,13-didecyltricosane is sourced from PubChem (CID 91473894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).