5,5-dibutyl-6-propyltetradecane

C25H52 — CID 151501472

IUPAC5,5-dibutyl-6-propyltetradecane
SMILESCCCCCCCCC(CCC)C(CCCC)(CCCC)CCCC
InChIInChI=1S/C25H52/c1-6-11-15-16-17-18-20-24(19-10-5)25(21-12-7-2,22-13-8-3)23-14-9-4/h24H,6-23H2,1-5H3
InChIKeyPQNDDALPBXHJKF-UHFFFAOYSA-N
MW352.69 g/mol
LogP9.71
Rot. Bonds19

About 5,5-dibutyl-6-propyltetradecane

5,5-dibutyl-6-propyltetradecane (PubChem CID 151501472) has the molecular formula C25H52 and a molecular weight of 352.69 g/mol. Its IUPAC name is 5,5-dibutyl-6-propyltetradecane.

Molecular Properties

Compound Name5,5-dibutyl-6-propyltetradecane
PubChem CID151501472
Molecular FormulaC25H52
Molecular Weight352.69 g/mol
Exact Mass352.41
IUPAC Name5,5-dibutyl-6-propyltetradecane
SMILESCCCCCCCCC(CCC)C(CCCC)(CCCC)CCCC
InChIInChI=1S/C25H52/c1-6-11-15-16-17-18-20-24(19-10-5)25(21-12-7-2,22-13-8-3)23-14-9-4/h24H,6-23H2,1-5H3
InChIKeyPQNDDALPBXHJKF-UHFFFAOYSA-N
XLogP9.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.69
LogP ≤ 59.71
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

20-heptadecyl-19-hexadecyl-20-octadecylnonatriacontane
CID 91224963
(5-butyl-6-propylnonadecan-5-yl)phosphane
CID 22597089
(5-butyl-6-propyltetradecan-5-yl)phosphane
CID 22596996
5-butyl-6-propylheptadecan-5-amine
CID 22597070
8-heptyl-9-propylhexadecan-8-amine;hydroiodide
CID 173157540
4,5-dipropylpentadecan-4-amine;hydrobromide
CID 175052572
(9-octyl-10-propyloctadecan-9-yl)phosphane;hydrochloride
CID 173158164
9-butyl-10-pentyloctadecan-9-ol
CID 90871150
5,6-dibutyldodecan-5-ol
CID 91807952
5,6-dibutyloctadecan-5-ylphosphanium chloride
CID 3019009
5-propyldecane-4,4-diol
CID 156789084
4,4-diethoxy-5-propyltridecane
CID 152734568

Frequently Asked Questions

What is the IUPAC name of 5,5-dibutyl-6-propyltetradecane?
The IUPAC name of 5,5-dibutyl-6-propyltetradecane (CID 151501472) is 5,5-dibutyl-6-propyltetradecane.
What is the SMILES notation for 5,5-dibutyl-6-propyltetradecane?
The canonical SMILES for 5,5-dibutyl-6-propyltetradecane is CCCCCCCCC(CCC)C(CCCC)(CCCC)CCCC.
What is the InChIKey of 5,5-dibutyl-6-propyltetradecane?
The InChIKey is PQNDDALPBXHJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H52/c1-6-11-15-16-17-18-20-24(19-10-5)25(21-12-7-2,22-13-8-3)23-14-9-4/h24H,6-23H2,1-5H3.
What are the key properties of 5,5-dibutyl-6-propyltetradecane?
5,5-dibutyl-6-propyltetradecane has a molecular weight of 352.69 g/mol, XLogP of 9.71, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dibutyl-6-propyltetradecane is sourced from PubChem (CID 151501472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).