5,9-dibutyl-13-propylheptadecane

C28H58 — CID 58862392

IUPAC5,9-dibutyl-13-propylheptadecane
SMILESCCCCC(CCC)CCCC(CCCC)CCCC(CCCC)CCCC
InChIInChI=1S/C28H58/c1-6-11-18-26(17-10-5)22-15-24-28(21-14-9-4)25-16-23-27(19-12-7-2)20-13-8-3/h26-28H,6-25H2,1-5H3
InChIKeyYGFWBGWNGHIJIQ-UHFFFAOYSA-N
MW394.77 g/mol
LogP10.74
Rot. Bonds22

About 5,9-dibutyl-13-propylheptadecane

5,9-dibutyl-13-propylheptadecane (PubChem CID 58862392) has the molecular formula C28H58 and a molecular weight of 394.77 g/mol. Its IUPAC name is 5,9-dibutyl-13-propylheptadecane.

Molecular Properties

Compound Name5,9-dibutyl-13-propylheptadecane
PubChem CID58862392
Molecular FormulaC28H58
Molecular Weight394.77 g/mol
Exact Mass394.45
IUPAC Name5,9-dibutyl-13-propylheptadecane
SMILESCCCCC(CCC)CCCC(CCCC)CCCC(CCCC)CCCC
InChIInChI=1S/C28H58/c1-6-11-18-26(17-10-5)22-15-24-28(21-14-9-4)25-16-23-27(19-12-7-2)20-13-8-3/h26-28H,6-25H2,1-5H3
InChIKeyYGFWBGWNGHIJIQ-UHFFFAOYSA-N
XLogP10.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds22
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.77
LogP ≤ 510.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

methane;4-propyloctane
CID 160687994
5-ethylnonane;5-propylnonane
CID 157441807
5-propylpentacosane
CID 91493421
4,5-dipropylnonane;5-propylnonane
CID 157465342
9-methyl-5-propyltetradecane
CID 59977731
4-iodo-8,12-dipropylhexadecane
CID 121245807
3-methyl-7-propylundecane
CID 123449834
13-propylheptacosane
CID 90872787
13-propylpentacosane
CID 21183364
9-propyltricosane
CID 54290141
16-propylhexatriacontane
CID 91313942
6-propyltetracosane
CID 91039357

Frequently Asked Questions

What is the IUPAC name of 5,9-dibutyl-13-propylheptadecane?
The IUPAC name of 5,9-dibutyl-13-propylheptadecane (CID 58862392) is 5,9-dibutyl-13-propylheptadecane.
What is the SMILES notation for 5,9-dibutyl-13-propylheptadecane?
The canonical SMILES for 5,9-dibutyl-13-propylheptadecane is CCCCC(CCC)CCCC(CCCC)CCCC(CCCC)CCCC.
What is the InChIKey of 5,9-dibutyl-13-propylheptadecane?
The InChIKey is YGFWBGWNGHIJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H58/c1-6-11-18-26(17-10-5)22-15-24-28(21-14-9-4)25-16-23-27(19-12-7-2)20-13-8-3/h26-28H,6-25H2,1-5H3.
What are the key properties of 5,9-dibutyl-13-propylheptadecane?
5,9-dibutyl-13-propylheptadecane has a molecular weight of 394.77 g/mol, XLogP of 10.74, 22 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9-dibutyl-13-propylheptadecane is sourced from PubChem (CID 58862392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).