5,5-dimethyltricyclo[5.2.1.03,9]dec-3-en-1-ol

C12H18O — CID 123928790

IUPAC5,5-dimethyltricyclo[5.2.1.03,9]dec-3-en-1-ol
SMILESCC1(C)C=C2CC3(O)CC(CC23)C1
InChIInChI=1S/C12H18O/c1-11(2)4-8-3-10-9(6-11)7-12(10,13)5-8/h6,8,10,13H,3-5,7H2,1-2H3
InChIKeyAAFVGXBWQKYFKO-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.50
Rot. Bonds

About 5,5-dimethyltricyclo[5.2.1.03,9]dec-3-en-1-ol

5,5-dimethyltricyclo[5.2.1.03,9]dec-3-en-1-ol (PubChem CID 123928790) has the molecular formula C12H18O and a molecular weight of 178.28 g/mol. Its IUPAC name is 5,5-dimethyltricyclo[5.2.1.03,9]dec-3-en-1-ol.

Molecular Properties

Compound Name5,5-dimethyltricyclo[5.2.1.03,9]dec-3-en-1-ol
PubChem CID123928790
Molecular FormulaC12H18O
Molecular Weight178.28 g/mol
Exact Mass178.14
IUPAC Name5,5-dimethyltricyclo[5.2.1.03,9]dec-3-en-1-ol
SMILESCC1(C)C=C2CC3(O)CC(CC23)C1
InChIInChI=1S/C12H18O/c1-11(2)4-8-3-10-9(6-11)7-12(10,13)5-8/h6,8,10,13H,3-5,7H2,1-2H3
InChIKeyAAFVGXBWQKYFKO-UHFFFAOYSA-N
XLogP2.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 141116572
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CID 139437917
3-methylbicyclo[3.1.1]heptan-1-ol
CID 67034776
7-(2-methoxyethoxy)-3,3-dimethylbicyclo[3.3.1]non-1-ene
CID 170008053
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CID 102596475
3,3,5-trimethylcyclohexen-1-ol
CID 71330706
[(2R,6aS)-1-(hydroxymethyl)-5,5-dimethyl-2-phenyl-2,3,6,6a-tetrahydropentalen-1-yl]methanol
CID 10492428
(5S,7S)-3-(dimethylamino)adamantan-1-ol
CID 23314706
2,2,6-trimethyl-1,6,7,7a-tetrahydroindene-4-carboxylic acid
CID 123301360
7-amino-3,7-dimethylbicyclo[3.3.1]nonan-3-ol
CID 123493909
2-ethynyl-4,4-dimethylcyclopent-2-en-1-ol
CID 10975543

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyltricyclo[5.2.1.03,9]dec-3-en-1-ol?
The IUPAC name of 5,5-dimethyltricyclo[5.2.1.03,9]dec-3-en-1-ol (CID 123928790) is 5,5-dimethyltricyclo[5.2.1.03,9]dec-3-en-1-ol.
What is the SMILES notation for 5,5-dimethyltricyclo[5.2.1.03,9]dec-3-en-1-ol?
The canonical SMILES for 5,5-dimethyltricyclo[5.2.1.03,9]dec-3-en-1-ol is CC1(C)C=C2CC3(O)CC(CC23)C1.
What is the InChIKey of 5,5-dimethyltricyclo[5.2.1.03,9]dec-3-en-1-ol?
The InChIKey is AAFVGXBWQKYFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-11(2)4-8-3-10-9(6-11)7-12(10,13)5-8/h6,8,10,13H,3-5,7H2,1-2H3.
What are the key properties of 5,5-dimethyltricyclo[5.2.1.03,9]dec-3-en-1-ol?
5,5-dimethyltricyclo[5.2.1.03,9]dec-3-en-1-ol has a molecular weight of 178.28 g/mol, XLogP of 2.50, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyltricyclo[5.2.1.03,9]dec-3-en-1-ol is sourced from PubChem (CID 123928790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).