6,6-dipentylpentadecane

C25H52 — CID 152650171

IUPAC6,6-dipentylpentadecane
SMILESCCCCCCCCCC(CCCCC)(CCCCC)CCCCC
InChIInChI=1S/C25H52/c1-5-9-13-14-15-16-20-24-25(21-17-10-6-2,22-18-11-7-3)23-19-12-8-4/h5-24H2,1-4H3
InChIKeyZHJVPAQDUMAHFV-UHFFFAOYSA-N
MW352.69 g/mol
LogP9.85
Rot. Bonds20

About 6,6-dipentylpentadecane

6,6-dipentylpentadecane (PubChem CID 152650171) has the molecular formula C25H52 and a molecular weight of 352.69 g/mol. Its IUPAC name is 6,6-dipentylpentadecane.

Molecular Properties

Compound Name6,6-dipentylpentadecane
PubChem CID152650171
Molecular FormulaC25H52
Molecular Weight352.69 g/mol
Exact Mass352.41
IUPAC Name6,6-dipentylpentadecane
SMILESCCCCCCCCCC(CCCCC)(CCCCC)CCCCC
InChIInChI=1S/C25H52/c1-5-9-13-14-15-16-20-24-25(21-17-10-6-2,22-18-11-7-3)23-19-12-8-4/h5-24H2,1-4H3
InChIKeyZHJVPAQDUMAHFV-UHFFFAOYSA-N
XLogP9.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.69
LogP ≤ 59.85
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
9,9-dioctyloctadecane
CID 19690418
8-hexyl-8-pentylhexadecane
CID 521602
10,10-dibutylicosane
CID 151498539
6,6-dipentylundecane
CID 19690398
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
4,4-dipentylnonan-1-amine
CID 88632324
7-butyl-7-ethyltetradecane
CID 174665936
4,4-dibutyldodecan-1-ol
CID 87374441
2,2-di(undecyl)tridecan-1-ol
CID 176610401

Frequently Asked Questions

What is the IUPAC name of 6,6-dipentylpentadecane?
The IUPAC name of 6,6-dipentylpentadecane (CID 152650171) is 6,6-dipentylpentadecane.
What is the SMILES notation for 6,6-dipentylpentadecane?
The canonical SMILES for 6,6-dipentylpentadecane is CCCCCCCCCC(CCCCC)(CCCCC)CCCCC.
What is the InChIKey of 6,6-dipentylpentadecane?
The InChIKey is ZHJVPAQDUMAHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H52/c1-5-9-13-14-15-16-20-24-25(21-17-10-6-2,22-18-11-7-3)23-19-12-8-4/h5-24H2,1-4H3.
What are the key properties of 6,6-dipentylpentadecane?
6,6-dipentylpentadecane has a molecular weight of 352.69 g/mol, XLogP of 9.85, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dipentylpentadecane is sourced from PubChem (CID 152650171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).