6,6-dipentylundecane

C21H44 — CID 19690398

IUPAC6,6-dipentylundecane
SMILESCCCCCC(CCCCC)(CCCCC)CCCCC
InChIInChI=1S/C21H44/c1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4/h5-20H2,1-4H3
InChIKeyYRVHAOGMXOIJDL-UHFFFAOYSA-N
MW296.58 g/mol
LogP8.29
Rot. Bonds16

About 6,6-dipentylundecane

6,6-dipentylundecane (PubChem CID 19690398) has the molecular formula C21H44 and a molecular weight of 296.58 g/mol. Its IUPAC name is 6,6-dipentylundecane.

Molecular Properties

Compound Name6,6-dipentylundecane
PubChem CID19690398
Molecular FormulaC21H44
Molecular Weight296.58 g/mol
Exact Mass296.34
IUPAC Name6,6-dipentylundecane
SMILESCCCCCC(CCCCC)(CCCCC)CCCCC
InChIInChI=1S/C21H44/c1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4/h5-20H2,1-4H3
InChIKeyYRVHAOGMXOIJDL-UHFFFAOYSA-N
XLogP8.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.58
LogP ≤ 58.29
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

19-hexadecyl-19-nonylnonatriacontane
CID 90913331
6,6-dipentylpentadecane
CID 152650171
9,9-dioctyloctadecane
CID 19690418
8-hexyl-8-pentylhexadecane
CID 521602
10,10-dibutylicosane
CID 151498539
4,4-dipentylnonan-1-amine
CID 88632324
4,4,9,9-tetrapropyldodecane
CID 140610407
3-heptadecyl-3-(2-hydroxyethyl)pentane-1,5-diol
CID 87979521
3,3-dioctadecylpentane-1,5-diol
CID 59698466
9-(2-bromoethyl)-9-octylheptadecane
CID 141338192
7-butyl-7-ethyltetradecane
CID 174665936
4,4-dibutyldodecan-1-ol
CID 87374441

Frequently Asked Questions

What is the IUPAC name of 6,6-dipentylundecane?
The IUPAC name of 6,6-dipentylundecane (CID 19690398) is 6,6-dipentylundecane.
What is the SMILES notation for 6,6-dipentylundecane?
The canonical SMILES for 6,6-dipentylundecane is CCCCCC(CCCCC)(CCCCC)CCCCC.
What is the InChIKey of 6,6-dipentylundecane?
The InChIKey is YRVHAOGMXOIJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44/c1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4/h5-20H2,1-4H3.
What are the key properties of 6,6-dipentylundecane?
6,6-dipentylundecane has a molecular weight of 296.58 g/mol, XLogP of 8.29, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dipentylundecane is sourced from PubChem (CID 19690398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).