8-hexyltricyclo[5.2.1.02,6]decane

C16H28 — CID 18442200

IUPAC8-hexyltricyclo[5.2.1.02,6]decane
SMILESCCCCCCC1CC2CC1C1CCCC21
InChIInChI=1S/C16H28/c1-2-3-4-5-7-12-10-13-11-16(12)15-9-6-8-14(13)15/h12-16H,2-11H2,1H3
InChIKeyRKBXSGUQVBTCJY-UHFFFAOYSA-N
MW220.40 g/mol
LogP5.03
Rot. Bonds5

About 8-hexyltricyclo[5.2.1.02,6]decane

8-hexyltricyclo[5.2.1.02,6]decane (PubChem CID 18442200) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is 8-hexyltricyclo[5.2.1.02,6]decane.

Molecular Properties

Compound Name8-hexyltricyclo[5.2.1.02,6]decane
PubChem CID18442200
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Name8-hexyltricyclo[5.2.1.02,6]decane
SMILESCCCCCCC1CC2CC1C1CCCC21
InChIInChI=1S/C16H28/c1-2-3-4-5-7-12-10-13-11-16(12)15-9-6-8-14(13)15/h12-16H,2-11H2,1H3
InChIKeyRKBXSGUQVBTCJY-UHFFFAOYSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.40
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 8-hexyltricyclo[5.2.1.02,6]decane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 54214621
1-nonyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139911728
1-octyl-2-pentylcyclopentane
CID 170668279
1,2-diheptylcyclopentane
CID 102061720
1-heptyl-2-pentylcyclopentane
CID 102061725
CID 171375674
CID 171375674
[(8R)-8-tricyclo[5.2.1.02,6]decanyl]methanol
CID 177289289
2-hexyl-4-methylbicyclo[3.1.0]hexane
CID 163738205
1-hexyl-2-undecylcyclopropane
CID 58049498
1,2-dioctylcyclopropane
CID 21337627
trans-(1S,2S)-1-ethyl-2-heptylcyclopentane
CID 175197427
8-(2,2-dimethylbutyl)tricyclo[5.2.1.02,6]decane
CID 20743981

Frequently Asked Questions

What is the IUPAC name of 8-hexyltricyclo[5.2.1.02,6]decane?
The IUPAC name of 8-hexyltricyclo[5.2.1.02,6]decane (CID 18442200) is 8-hexyltricyclo[5.2.1.02,6]decane.
What is the SMILES notation for 8-hexyltricyclo[5.2.1.02,6]decane?
The canonical SMILES for 8-hexyltricyclo[5.2.1.02,6]decane is CCCCCCC1CC2CC1C1CCCC21.
What is the InChIKey of 8-hexyltricyclo[5.2.1.02,6]decane?
The InChIKey is RKBXSGUQVBTCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28/c1-2-3-4-5-7-12-10-13-11-16(12)15-9-6-8-14(13)15/h12-16H,2-11H2,1H3.
What are the key properties of 8-hexyltricyclo[5.2.1.02,6]decane?
8-hexyltricyclo[5.2.1.02,6]decane has a molecular weight of 220.40 g/mol, XLogP of 5.03, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hexyltricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 18442200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).