5-butyl-2,6-dimethyldecane

C16H34 — CID 123775332

IUPAC5-butyl-2,6-dimethyldecane
SMILESCCCCC(C)C(CCCC)CCC(C)C
InChIInChI=1S/C16H34/c1-6-8-10-15(5)16(11-9-7-2)13-12-14(3)4/h14-16H,6-13H2,1-5H3
InChIKeyAVVXOZCERMQIGY-UHFFFAOYSA-N
MW226.45 g/mol
LogP6.06
Rot. Bonds10

About 5-butyl-2,6-dimethyldecane

5-butyl-2,6-dimethyldecane (PubChem CID 123775332) has the molecular formula C16H34 and a molecular weight of 226.45 g/mol. Its IUPAC name is 5-butyl-2,6-dimethyldecane.

Molecular Properties

Compound Name5-butyl-2,6-dimethyldecane
PubChem CID123775332
Molecular FormulaC16H34
Molecular Weight226.45 g/mol
Exact Mass226.27
IUPAC Name5-butyl-2,6-dimethyldecane
SMILESCCCCC(C)C(CCCC)CCC(C)C
InChIInChI=1S/C16H34/c1-6-8-10-15(5)16(11-9-7-2)13-12-14(3)4/h14-16H,6-13H2,1-5H3
InChIKeyAVVXOZCERMQIGY-UHFFFAOYSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.45
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9-butyl-10-methyloctadecane
CID 174796911
11-butyl-12-methyldocosane
CID 151619606
(5S,6R)-2,5,6-trimethyldecane
CID 154723790
6-butyl-3,7-dimethylundecane
CID 123359248
8-methyl-7-pentylhexadecane
CID 123739023
3-butyl-6-methylheptan-2-ol
CID 86675568
11-butyl-4,12-dimethylhexacosane
CID 153276658
2-methylhexane;propane
CID 143695748
2-methylhexane;dihydrate
CID 155319003
2-methylhexane;hydrochloride
CID 172797630
3,7-dimethyl-6-(2-methylpropyl)undecane
CID 123589473
8-ethyl-7-methylhexadecane
CID 56974440

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2,6-dimethyldecane?
The IUPAC name of 5-butyl-2,6-dimethyldecane (CID 123775332) is 5-butyl-2,6-dimethyldecane.
What is the SMILES notation for 5-butyl-2,6-dimethyldecane?
The canonical SMILES for 5-butyl-2,6-dimethyldecane is CCCCC(C)C(CCCC)CCC(C)C.
What is the InChIKey of 5-butyl-2,6-dimethyldecane?
The InChIKey is AVVXOZCERMQIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34/c1-6-8-10-15(5)16(11-9-7-2)13-12-14(3)4/h14-16H,6-13H2,1-5H3.
What are the key properties of 5-butyl-2,6-dimethyldecane?
5-butyl-2,6-dimethyldecane has a molecular weight of 226.45 g/mol, XLogP of 6.06, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2,6-dimethyldecane is sourced from PubChem (CID 123775332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).