8-(2,2-dimethylbutyl)tricyclo[5.2.1.02,6]decane

C16H28 — CID 20743981

IUPAC8-(2,2-dimethylbutyl)tricyclo[5.2.1.02,6]decane
SMILESCCC(C)(C)CC1CC2CC1C1CCCC21
InChIInChI=1S/C16H28/c1-4-16(2,3)10-12-8-11-9-15(12)14-7-5-6-13(11)14/h11-15H,4-10H2,1-3H3
InChIKeyJNLJYHQKYRLTAO-UHFFFAOYSA-N
MW220.40 g/mol
LogP4.89
Rot. Bonds3

About 8-(2,2-dimethylbutyl)tricyclo[5.2.1.02,6]decane

8-(2,2-dimethylbutyl)tricyclo[5.2.1.02,6]decane (PubChem CID 20743981) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is 8-(2,2-dimethylbutyl)tricyclo[5.2.1.02,6]decane.

Molecular Properties

Compound Name8-(2,2-dimethylbutyl)tricyclo[5.2.1.02,6]decane
PubChem CID20743981
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Name8-(2,2-dimethylbutyl)tricyclo[5.2.1.02,6]decane
SMILESCCC(C)(C)CC1CC2CC1C1CCCC21
InChIInChI=1S/C16H28/c1-4-16(2,3)10-12-8-11-9-15(12)14-7-5-6-13(11)14/h11-15H,4-10H2,1-3H3
InChIKeyJNLJYHQKYRLTAO-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.40
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[(8R)-8-tricyclo[5.2.1.02,6]decanyl]methanol
CID 177289289
CID 171375674
CID 171375674
8-hexyltricyclo[5.2.1.02,6]decane
CID 18442200
tetrakis(8-tricyclo[5.2.1.02,6]decanylmethyl) silicate
CID 56841189
[4-methyl-1-(8-tricyclo[5.2.1.02,6]decanyl)pentan-2-yl] 2,2-dimethylbutanoate
CID 118100465
potassium 2-(8-tricyclo[5.2.1.02,6]decanyl)ethanedithioate
CID 23706255
2-(2,2-dimethylbutyl)bicyclo[1.1.0]butane
CID 123152522
(1S,2R,6R,7S)-tricyclo[5.2.1.02,6]decan-8-amine
CID 11378594
(1S,7S)-tricyclo[5.2.1.02,6]decan-8-amine
CID 166642246
1-(2,2-dimethylbutyl)-2,3-dimethylcyclobutane
CID 123179974
trimethyl(8-tricyclo[5.2.1.02,6]decanyl)silane
CID 13199555
2-[2-hydroxyethyl(8-tricyclo[5.2.1.02,6]decanylmethyl)amino]ethanol
CID 58779502

Frequently Asked Questions

What is the IUPAC name of 8-(2,2-dimethylbutyl)tricyclo[5.2.1.02,6]decane?
The IUPAC name of 8-(2,2-dimethylbutyl)tricyclo[5.2.1.02,6]decane (CID 20743981) is 8-(2,2-dimethylbutyl)tricyclo[5.2.1.02,6]decane.
What is the SMILES notation for 8-(2,2-dimethylbutyl)tricyclo[5.2.1.02,6]decane?
The canonical SMILES for 8-(2,2-dimethylbutyl)tricyclo[5.2.1.02,6]decane is CCC(C)(C)CC1CC2CC1C1CCCC21.
What is the InChIKey of 8-(2,2-dimethylbutyl)tricyclo[5.2.1.02,6]decane?
The InChIKey is JNLJYHQKYRLTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28/c1-4-16(2,3)10-12-8-11-9-15(12)14-7-5-6-13(11)14/h11-15H,4-10H2,1-3H3.
What are the key properties of 8-(2,2-dimethylbutyl)tricyclo[5.2.1.02,6]decane?
8-(2,2-dimethylbutyl)tricyclo[5.2.1.02,6]decane has a molecular weight of 220.40 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,2-dimethylbutyl)tricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 20743981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).