2,3-dimethylbutylcyclodecane

C16H32 — CID 123220792

IUPAC2,3-dimethylbutylcyclodecane
SMILESCC(C)C(C)CC1CCCCCCCCC1
InChIInChI=1S/C16H32/c1-14(2)15(3)13-16-11-9-7-5-4-6-8-10-12-16/h14-16H,4-13H2,1-3H3
InChIKeyMBVRLEKBTHZIIS-UHFFFAOYSA-N
MW224.43 g/mol
LogP5.81
Rot. Bonds3

About 2,3-dimethylbutylcyclodecane

2,3-dimethylbutylcyclodecane (PubChem CID 123220792) has the molecular formula C16H32 and a molecular weight of 224.43 g/mol. Its IUPAC name is 2,3-dimethylbutylcyclodecane.

Molecular Properties

Compound Name2,3-dimethylbutylcyclodecane
PubChem CID123220792
Molecular FormulaC16H32
Molecular Weight224.43 g/mol
Exact Mass224.25
IUPAC Name2,3-dimethylbutylcyclodecane
SMILESCC(C)C(C)CC1CCCCCCCCC1
InChIInChI=1S/C16H32/c1-14(2)15(3)13-16-11-9-7-5-4-6-8-10-12-16/h14-16H,4-13H2,1-3H3
InChIKeyMBVRLEKBTHZIIS-UHFFFAOYSA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.43
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[(2R)-2,3-dimethylbutyl]cyclopropane
CID 58368146
3-cyclohexyl-2-methylpropane-1,1-diol
CID 20647941
(3-methyl-2-propan-2-ylbutyl)cycloheptane
CID 123585668
bis(2-methylpropylcyclohexane);2-methylpropylcyclopentane
CID 159474199
(3-chloro-2-methylbutyl)cyclopentane
CID 63459666
4-(2,3-dimethylbutyl)-1,7-dimethylcyclodecane
CID 123783398
3-(2,3-dimethylbutyl)azepane
CID 155298331
cyclopentane;iron;2-methylpropylcyclopentane
CID 172726896
2-methylpropylcyclohexane;2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159692112
(1-cyclopentyl-3-methylbutan-2-yl)cyclohexane
CID 143562846
(2R)-1-cyclohexyl-3-methylbutan-2-amine
CID 118964474
2,3,5,5-tetramethylhexylcyclohexane
CID 57232687

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutylcyclodecane?
The IUPAC name of 2,3-dimethylbutylcyclodecane (CID 123220792) is 2,3-dimethylbutylcyclodecane.
What is the SMILES notation for 2,3-dimethylbutylcyclodecane?
The canonical SMILES for 2,3-dimethylbutylcyclodecane is CC(C)C(C)CC1CCCCCCCCC1.
What is the InChIKey of 2,3-dimethylbutylcyclodecane?
The InChIKey is MBVRLEKBTHZIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32/c1-14(2)15(3)13-16-11-9-7-5-4-6-8-10-12-16/h14-16H,4-13H2,1-3H3.
What are the key properties of 2,3-dimethylbutylcyclodecane?
2,3-dimethylbutylcyclodecane has a molecular weight of 224.43 g/mol, XLogP of 5.81, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutylcyclodecane is sourced from PubChem (CID 123220792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).