4-(2-hydroxyethyl)tricyclo[5.2.1.02,6]deca-4,8-dien-3-one

C12H14O2 — CID 86192623

IUPAC4-(2-hydroxyethyl)tricyclo[5.2.1.02,6]deca-4,8-dien-3-one
SMILESO=C1C(CCO)=CC2C3C=CC(C3)C12
InChIInChI=1S/C12H14O2/c13-4-3-9-6-10-7-1-2-8(5-7)11(10)12(9)14/h1-2,6-8,10-11,13H,3-5H2
InChIKeySCZSAPGELLAMNT-UHFFFAOYSA-N
MW190.24 g/mol
LogP1.32
Rot. Bonds2

About 4-(2-hydroxyethyl)tricyclo[5.2.1.02,6]deca-4,8-dien-3-one

4-(2-hydroxyethyl)tricyclo[5.2.1.02,6]deca-4,8-dien-3-one (PubChem CID 86192623) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)tricyclo[5.2.1.02,6]deca-4,8-dien-3-one.

Molecular Properties

Compound Name4-(2-hydroxyethyl)tricyclo[5.2.1.02,6]deca-4,8-dien-3-one
PubChem CID86192623
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name4-(2-hydroxyethyl)tricyclo[5.2.1.02,6]deca-4,8-dien-3-one
SMILESO=C1C(CCO)=CC2C3C=CC(C3)C12
InChIInChI=1S/C12H14O2/c13-4-3-9-6-10-7-1-2-8(5-7)11(10)12(9)14/h1-2,6-8,10-11,13H,3-5H2
InChIKeySCZSAPGELLAMNT-UHFFFAOYSA-N
XLogP1.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.32
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

1-Bicyclo[2.2.1]hept-5-en-2-yl-2-hydroxyethanone
CID 362194
5-Oxotricyclo[5,2,1,0 2,6]deca-3,8-diene-2-carboxylic acid
CID 13621228
(1R,2S,6S,7R,8S)-6-hydroxytricyclo[6.2.1.02,7]undeca-4,9-dien-3-one
CID 11137652
4-(3-Hydroxypropyl)tricyclo[5.2.1.02,6]dec-4-en-3-one
CID 73228783
4-Oxatricyclo[5.2.1.02,6]dec-1(9)-en-10-one
CID 91084393
6a-(1-Hydroxy-2-methylheptan-2-yl)-3,4-dimethyl-3a,4,5,6-tetrahydropentalen-1-one
CID 134855335
(1R,2R,6R,7S)-4-(3-hydroxypropyl)tricyclo[5.2.1.02,6]deca-4,8-dien-3-one
CID 134899827
(1R,2S,6S,7S)-4-(3-hydroxypropyl)tricyclo[5.2.1.02,6]deca-4,8-dien-3-one
CID 134899924
(2S)-5-oxotricyclo[5.2.1.02,6]deca-3,8-diene-2-carboxylic acid
CID 134972391
(3S,3aR,6aR)-3-(4-hydroxybutyl)-2,3,3a,6a-tetrahydropentalene-1,4-dione
CID 162412661
(1R,4S,5S,7S)-7-hydroxy-1-methyl-3-methylidene-4-propan-2-ylspiro[4.5]dec-9-en-8-one
CID 164681044
1-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-2-hydroxyethanone
CID 92151799

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)tricyclo[5.2.1.02,6]deca-4,8-dien-3-one?
The IUPAC name of 4-(2-hydroxyethyl)tricyclo[5.2.1.02,6]deca-4,8-dien-3-one (CID 86192623) is 4-(2-hydroxyethyl)tricyclo[5.2.1.02,6]deca-4,8-dien-3-one.
What is the SMILES notation for 4-(2-hydroxyethyl)tricyclo[5.2.1.02,6]deca-4,8-dien-3-one?
The canonical SMILES for 4-(2-hydroxyethyl)tricyclo[5.2.1.02,6]deca-4,8-dien-3-one is O=C1C(CCO)=CC2C3C=CC(C3)C12.
What is the InChIKey of 4-(2-hydroxyethyl)tricyclo[5.2.1.02,6]deca-4,8-dien-3-one?
The InChIKey is SCZSAPGELLAMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c13-4-3-9-6-10-7-1-2-8(5-7)11(10)12(9)14/h1-2,6-8,10-11,13H,3-5H2.
What are the key properties of 4-(2-hydroxyethyl)tricyclo[5.2.1.02,6]deca-4,8-dien-3-one?
4-(2-hydroxyethyl)tricyclo[5.2.1.02,6]deca-4,8-dien-3-one has a molecular weight of 190.24 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)tricyclo[5.2.1.02,6]deca-4,8-dien-3-one is sourced from PubChem (CID 86192623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).