5,6-dipropyldecane

C16H34 — CID 518459

IUPAC5,6-dipropyldecane
SMILESCCCCC(CCC)C(CCC)CCCC
InChIInChI=1S/C16H34/c1-5-9-13-15(11-7-3)16(12-8-4)14-10-6-2/h15-16H,5-14H2,1-4H3
InChIKeyAHCQADSOCBSROH-UHFFFAOYSA-N
MW226.45 g/mol
LogP6.20
Rot. Bonds11

About 5,6-dipropyldecane

5,6-dipropyldecane (PubChem CID 518459) has the molecular formula C16H34 and a molecular weight of 226.45 g/mol. Its IUPAC name is 5,6-dipropyldecane.

Molecular Properties

Compound Name5,6-dipropyldecane
PubChem CID518459
Molecular FormulaC16H34
Molecular Weight226.45 g/mol
Exact Mass226.27
IUPAC Name5,6-dipropyldecane
SMILESCCCCC(CCC)C(CCC)CCCC
InChIInChI=1S/C16H34/c1-5-9-13-15(11-7-3)16(12-8-4)14-10-6-2/h15-16H,5-14H2,1-4H3
InChIKeyAHCQADSOCBSROH-UHFFFAOYSA-N
XLogP6.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.45
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5,6-dipropyldecane?
The IUPAC name of 5,6-dipropyldecane (CID 518459) is 5,6-dipropyldecane.
What is the SMILES notation for 5,6-dipropyldecane?
The canonical SMILES for 5,6-dipropyldecane is CCCCC(CCC)C(CCC)CCCC.
What is the InChIKey of 5,6-dipropyldecane?
The InChIKey is AHCQADSOCBSROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34/c1-5-9-13-15(11-7-3)16(12-8-4)14-10-6-2/h15-16H,5-14H2,1-4H3.
What are the key properties of 5,6-dipropyldecane?
5,6-dipropyldecane has a molecular weight of 226.45 g/mol, XLogP of 6.20, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dipropyldecane is sourced from PubChem (CID 518459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).