5,9-dibutyl-7-methyltridecane

C22H46 — CID 20810653

IUPAC5,9-dibutyl-7-methyltridecane
SMILESCCCCC(CCCC)CC(C)CC(CCCC)CCCC
InChIInChI=1S/C22H46/c1-6-10-14-21(15-11-7-2)18-20(5)19-22(16-12-8-3)17-13-9-4/h20-22H,6-19H2,1-5H3
InChIKeyBFTJZSPQAOTMCT-UHFFFAOYSA-N
MW310.61 g/mol
LogP8.40
Rot. Bonds16

About 5,9-dibutyl-7-methyltridecane

5,9-dibutyl-7-methyltridecane (PubChem CID 20810653) has the molecular formula C22H46 and a molecular weight of 310.61 g/mol. Its IUPAC name is 5,9-dibutyl-7-methyltridecane.

Molecular Properties

Compound Name5,9-dibutyl-7-methyltridecane
PubChem CID20810653
Molecular FormulaC22H46
Molecular Weight310.61 g/mol
Exact Mass310.36
IUPAC Name5,9-dibutyl-7-methyltridecane
SMILESCCCCC(CCCC)CC(C)CC(CCCC)CCCC
InChIInChI=1S/C22H46/c1-6-10-14-21(15-11-7-2)18-20(5)19-22(16-12-8-3)17-13-9-4/h20-22H,6-19H2,1-5H3
InChIKeyBFTJZSPQAOTMCT-UHFFFAOYSA-N
XLogP8.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.61
LogP ≤ 58.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9-butyl-7-methylhexadecane
CID 90905022
5-butyl-3-methyldodecane
CID 91590933
8-ethyl-4,6-dimethyldodecane
CID 123186055
6-ethyl-4-methyldecane
CID 22224210
5,7-dibutylundecane;nonane
CID 159714693
5-butyl-2,3-dimethylnonane
CID 123894711
6-methyl-8-propylpentadecane
CID 90954253
8-methyl-6-propyltetradecane
CID 90964105
6-methyl-8-propylhexadecane
CID 91357269
5,11-diethyl-7-methylpentadecane
CID 174871265
8-butyl-10-pentylheptadecane
CID 91542009
5,7-dibutyltridecane
CID 14297331

Frequently Asked Questions

What is the IUPAC name of 5,9-dibutyl-7-methyltridecane?
The IUPAC name of 5,9-dibutyl-7-methyltridecane (CID 20810653) is 5,9-dibutyl-7-methyltridecane.
What is the SMILES notation for 5,9-dibutyl-7-methyltridecane?
The canonical SMILES for 5,9-dibutyl-7-methyltridecane is CCCCC(CCCC)CC(C)CC(CCCC)CCCC.
What is the InChIKey of 5,9-dibutyl-7-methyltridecane?
The InChIKey is BFTJZSPQAOTMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46/c1-6-10-14-21(15-11-7-2)18-20(5)19-22(16-12-8-3)17-13-9-4/h20-22H,6-19H2,1-5H3.
What are the key properties of 5,9-dibutyl-7-methyltridecane?
5,9-dibutyl-7-methyltridecane has a molecular weight of 310.61 g/mol, XLogP of 8.40, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9-dibutyl-7-methyltridecane is sourced from PubChem (CID 20810653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).