5,7-dibutylundecane;nonane

C28H60 — CID 159714693

IUPAC5,7-dibutylundecane;nonane
SMILESCCCCC(CCCC)CC(CCCC)CCCC.CCCCCCCCC
InChIInChI=1S/C19H40.C9H20/c1-5-9-13-18(14-10-6-2)17-19(15-11-7-3)16-12-8-4;1-3-5-7-9-8-6-4-2/h18-19H,5-17H2,1-4H3;3-9H2,1-2H3
InChIKeyMZGYVHASKZHZFW-UHFFFAOYSA-N
MW396.79 g/mol
LogP11.13
Rot. Bonds20

About 5,7-dibutylundecane;nonane

5,7-dibutylundecane;nonane (PubChem CID 159714693) has the molecular formula C28H60 and a molecular weight of 396.79 g/mol. Its IUPAC name is 5,7-dibutylundecane;nonane.

Molecular Properties

Compound Name5,7-dibutylundecane;nonane
PubChem CID159714693
Molecular FormulaC28H60
Molecular Weight396.79 g/mol
Exact Mass396.47
IUPAC Name5,7-dibutylundecane;nonane
SMILESCCCCC(CCCC)CC(CCCC)CCCC.CCCCCCCCC
InChIInChI=1S/C19H40.C9H20/c1-5-9-13-18(14-10-6-2)17-19(15-11-7-3)16-12-8-4;1-3-5-7-9-8-6-4-2/h18-19H,5-17H2,1-4H3;3-9H2,1-2H3
InChIKeyMZGYVHASKZHZFW-UHFFFAOYSA-N
XLogP11.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.79
LogP ≤ 511.13
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

5,7-dibutyltridecane
CID 14297331
8-butyl-10-pentylheptadecane
CID 91542009
9-heptyl-11-octylnonadecane
CID 91326024
11,13-didecyltricosane
CID 91473894
9-butyl-7-propylheptadecane
CID 91567761
7-butyl-9-propylhexadecane
CID 91502397
7,9-dipropylhexadecane
CID 91047634
8-heptyl-10-propyloctadecane
CID 90802423
9-hexyl-7-propylheptadecane
CID 91243882
9-ethyl-11-heptylnonadecane
CID 90975246
9-ethyl-7-pentylhexadecane
CID 91283125
6-butyl-4,8-dipropylundecane
CID 158410657

Frequently Asked Questions

What is the IUPAC name of 5,7-dibutylundecane;nonane?
The IUPAC name of 5,7-dibutylundecane;nonane (CID 159714693) is 5,7-dibutylundecane;nonane.
What is the SMILES notation for 5,7-dibutylundecane;nonane?
The canonical SMILES for 5,7-dibutylundecane;nonane is CCCCC(CCCC)CC(CCCC)CCCC.CCCCCCCCC.
What is the InChIKey of 5,7-dibutylundecane;nonane?
The InChIKey is MZGYVHASKZHZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40.C9H20/c1-5-9-13-18(14-10-6-2)17-19(15-11-7-3)16-12-8-4;1-3-5-7-9-8-6-4-2/h18-19H,5-17H2,1-4H3;3-9H2,1-2H3.
What are the key properties of 5,7-dibutylundecane;nonane?
5,7-dibutylundecane;nonane has a molecular weight of 396.79 g/mol, XLogP of 11.13, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dibutylundecane;nonane is sourced from PubChem (CID 159714693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).