2-(3-tricyclo[5.2.1.02,6]deca-4,8-dienyloxy)ethanol

C12H16O2 — CID 130128012

IUPAC2-(3-tricyclo[5.2.1.02,6]deca-4,8-dienyloxy)ethanol
SMILESOCCOC1C=CC2C3C=CC(C3)C12
InChIInChI=1S/C12H16O2/c13-5-6-14-11-4-3-10-8-1-2-9(7-8)12(10)11/h1-4,8-13H,5-7H2
InChIKeyMPEPZEXQCNNPDX-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.37
Rot. Bonds3

About 2-(3-tricyclo[5.2.1.02,6]deca-4,8-dienyloxy)ethanol

2-(3-tricyclo[5.2.1.02,6]deca-4,8-dienyloxy)ethanol (PubChem CID 130128012) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-(3-tricyclo[5.2.1.02,6]deca-4,8-dienyloxy)ethanol.

Molecular Properties

Compound Name2-(3-tricyclo[5.2.1.02,6]deca-4,8-dienyloxy)ethanol
PubChem CID130128012
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name2-(3-tricyclo[5.2.1.02,6]deca-4,8-dienyloxy)ethanol
SMILESOCCOC1C=CC2C3C=CC(C3)C12
InChIInChI=1S/C12H16O2/c13-5-6-14-11-4-3-10-8-1-2-9(7-8)12(10)11/h1-4,8-13H,5-7H2
InChIKeyMPEPZEXQCNNPDX-UHFFFAOYSA-N
XLogP1.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)oxy]ethanol
CID 68583810
(1R,2S,5R,6R,7S)-5-methyltricyclo[5.2.1.02,6]deca-3,8-diene
CID 124560087
tricyclo[5.2.1.02,6]deca-4,8-diene-3-carbonyl chloride
CID 23077121
3-tricyclo[5.2.1.02,6]deca-4,8-dienyl 4-bromobenzoate
CID 5251664
tetracyclo[7.2.1.04,11.06,10]dodeca-2,7-diene
CID 521932
(1R,2S,5R,6R)-tricyclo[4.2.1.12,5]deca-3,7-diene
CID 98626620
(1R,2S,5S,6R)-tricyclo[4.2.1.12,5]deca-3,7-diene
CID 98626622
1,2-dimethyl-3-[5-[[(2R,3R,6S)-3-tricyclo[5.2.1.02,6]deca-4,8-dienyl]oxy]pentyl]imidazol-1-ium;1-methyl-3-[7-[[(2R,3R,6S)-3-tricyclo[5.2.1.02,6]deca-4,8-dienyl]oxy]heptyl]imidazol-1-ium;1-methyl-3-[6-[[(2R,3R,6S)-3-tricyclo[5.2.1.02,6]deca-4,8-dienyl]oxy]hexyl]imidazol-1-ium;1-methyl-3-[5-[[(2R,3R,6S)-3-tricyclo[5.2.1.02,6]deca-4,8-dienyl]oxy]pentyl]imidazol-1-ium;tetrabromide
CID 159870937
5-(1,2-dichloroethenyl)tricyclo[5.2.1.02,6]deca-3,8-diene
CID 54168824
2-hydroxyethyl tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
CID 23377191
2-hydroxyethyl (2S)-tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
CID 71195761
hexacyclo[10.2.1.15,8.02,11.03,10.04,9]hexadeca-6,13-diene
CID 100957910

Frequently Asked Questions

What is the IUPAC name of 2-(3-tricyclo[5.2.1.02,6]deca-4,8-dienyloxy)ethanol?
The IUPAC name of 2-(3-tricyclo[5.2.1.02,6]deca-4,8-dienyloxy)ethanol (CID 130128012) is 2-(3-tricyclo[5.2.1.02,6]deca-4,8-dienyloxy)ethanol.
What is the SMILES notation for 2-(3-tricyclo[5.2.1.02,6]deca-4,8-dienyloxy)ethanol?
The canonical SMILES for 2-(3-tricyclo[5.2.1.02,6]deca-4,8-dienyloxy)ethanol is OCCOC1C=CC2C3C=CC(C3)C12.
What is the InChIKey of 2-(3-tricyclo[5.2.1.02,6]deca-4,8-dienyloxy)ethanol?
The InChIKey is MPEPZEXQCNNPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c13-5-6-14-11-4-3-10-8-1-2-9(7-8)12(10)11/h1-4,8-13H,5-7H2.
What are the key properties of 2-(3-tricyclo[5.2.1.02,6]deca-4,8-dienyloxy)ethanol?
2-(3-tricyclo[5.2.1.02,6]deca-4,8-dienyloxy)ethanol has a molecular weight of 192.26 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tricyclo[5.2.1.02,6]deca-4,8-dienyloxy)ethanol is sourced from PubChem (CID 130128012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).