1-dec-9-enyltricyclo[5.2.1.02,6]decane

C20H34 — CID 57130104

IUPAC1-dec-9-enyltricyclo[5.2.1.02,6]decane
SMILESC=CCCCCCCCCC12CCC(C1)C1CCCC12
InChIInChI=1S/C20H34/c1-2-3-4-5-6-7-8-9-14-20-15-13-17(16-20)18-11-10-12-19(18)20/h2,17-19H,1,3-16H2
InChIKeyDXJCZKGJQFOUQP-UHFFFAOYSA-N
MW274.49 g/mol
LogP6.51
Rot. Bonds9

About 1-dec-9-enyltricyclo[5.2.1.02,6]decane

1-dec-9-enyltricyclo[5.2.1.02,6]decane (PubChem CID 57130104) has the molecular formula C20H34 and a molecular weight of 274.49 g/mol. Its IUPAC name is 1-dec-9-enyltricyclo[5.2.1.02,6]decane.

Molecular Properties

Compound Name1-dec-9-enyltricyclo[5.2.1.02,6]decane
PubChem CID57130104
Molecular FormulaC20H34
Molecular Weight274.49 g/mol
Exact Mass274.27
IUPAC Name1-dec-9-enyltricyclo[5.2.1.02,6]decane
SMILESC=CCCCCCCCCC12CCC(C1)C1CCCC12
InChIInChI=1S/C20H34/c1-2-3-4-5-6-7-8-9-14-20-15-13-17(16-20)18-11-10-12-19(18)20/h2,17-19H,1,3-16H2
InChIKeyDXJCZKGJQFOUQP-UHFFFAOYSA-N
XLogP6.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.49
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-dec-9-enyltricyclo[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

3-chloro-1-hept-6-enyl-1-methylcyclopentane
CID 107010557
heptacosa-1,26-diene
CID 58905535
heptadeca-1,16-diene
CID 6429392
(1R,5R)-5-hex-5-enylbicyclo[3.2.0]heptan-6-one
CID 11321466
2-(1-tricyclo[5.2.1.02,6]decanylmethylcarbamoylamino)ethyl dihydrogen phosphate
CID 68973786
[(1S,2R,4R,5S)-1-tricyclo[3.2.1.02,4]octanyl]methanol
CID 12644101
N-hept-6-enylcyclobutanamine
CID 107006782
3-dec-9-enyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171955867
(2R)-2-dec-9-enyl-2-methyloxetane
CID 102038104
[prop-2-enoyloxy(1-tricyclo[5.2.1.02,6]decanyl)methyl] prop-2-enoate
CID 22992618
4-butyl-1-hept-6-enylcyclohexane-1-carboxylic acid
CID 107007922
1-non-8-enylcyclopropane-1-sulfonic acid
CID 22499269

Frequently Asked Questions

What is the IUPAC name of 1-dec-9-enyltricyclo[5.2.1.02,6]decane?
The IUPAC name of 1-dec-9-enyltricyclo[5.2.1.02,6]decane (CID 57130104) is 1-dec-9-enyltricyclo[5.2.1.02,6]decane.
What is the SMILES notation for 1-dec-9-enyltricyclo[5.2.1.02,6]decane?
The canonical SMILES for 1-dec-9-enyltricyclo[5.2.1.02,6]decane is C=CCCCCCCCCC12CCC(C1)C1CCCC12.
What is the InChIKey of 1-dec-9-enyltricyclo[5.2.1.02,6]decane?
The InChIKey is DXJCZKGJQFOUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34/c1-2-3-4-5-6-7-8-9-14-20-15-13-17(16-20)18-11-10-12-19(18)20/h2,17-19H,1,3-16H2.
What are the key properties of 1-dec-9-enyltricyclo[5.2.1.02,6]decane?
1-dec-9-enyltricyclo[5.2.1.02,6]decane has a molecular weight of 274.49 g/mol, XLogP of 6.51, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dec-9-enyltricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 57130104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).