bicyclo[3.2.2]nona-3,6-dien-2-ol

C9H12O — CID 130146867

IUPACbicyclo[3.2.2]nona-3,6-dien-2-ol
SMILESOC1C=CC2C=CC1CC2
InChIInChI=1S/C9H12O/c10-9-6-3-7-1-4-8(9)5-2-7/h1,3-4,6-10H,2,5H2
InChIKeyHYZSZYOUVKGGPC-UHFFFAOYSA-N
MW136.19 g/mol
LogP1.50
Rot. Bonds

About bicyclo[3.2.2]nona-3,6-dien-2-ol

bicyclo[3.2.2]nona-3,6-dien-2-ol (PubChem CID 130146867) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is bicyclo[3.2.2]nona-3,6-dien-2-ol.

Molecular Properties

Compound Namebicyclo[3.2.2]nona-3,6-dien-2-ol
PubChem CID130146867
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Namebicyclo[3.2.2]nona-3,6-dien-2-ol
SMILESOC1C=CC2C=CC1CC2
InChIInChI=1S/C9H12O/c10-9-6-3-7-1-4-8(9)5-2-7/h1,3-4,6-10H,2,5H2
InChIKeyHYZSZYOUVKGGPC-UHFFFAOYSA-N
XLogP1.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 51.50
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

bicyclo[2.2.1]hepta-2,5-diene;bicyclo[2.2.2]octa-2,5-diene
CID 167623145
cyclobut-3-ene-1,2-diol
CID 12513563
(1R,2S,4R)-bicyclo[2.2.2]oct-5-en-2-ol
CID 12622748
bicyclo[3.3.2]deca-3,7,9-trien-2-ol
CID 130125118
(4S)-7-methylbicyclo[2.2.1]hept-2-ene
CID 143323028
(1R,4S,5R,6R)-5,6-dimethylbicyclo[2.2.2]oct-2-ene
CID 59956778
(1S,2R,3R,4R)-cyclohex-5-ene-1,2,3,4-tetrol
CID 10057625
(2R,3R)-bicyclo[2.2.2]oct-5-ene-2,3-dicarboxylic acid
CID 89358150
5-hydroxy-4-oxatricyclo[5.2.2.02,6]undec-8-en-3-one
CID 130122909
(2R,3R,6S,7S,9R,10R,13S,14S)-hexacyclo[6.6.2.23,6.210,13.02,7.09,14]icosa-4,11-diene
CID 15351281
1,2,4a,5,6,8a-hexahydronaphthalene-2,6-diol
CID 130125975
(1R,2R,3R,4S)-bicyclo[2.2.2]oct-5-ene-2,3-dicarboxylate
CID 2054184

Frequently Asked Questions

What is the IUPAC name of bicyclo[3.2.2]nona-3,6-dien-2-ol?
The IUPAC name of bicyclo[3.2.2]nona-3,6-dien-2-ol (CID 130146867) is bicyclo[3.2.2]nona-3,6-dien-2-ol.
What is the SMILES notation for bicyclo[3.2.2]nona-3,6-dien-2-ol?
The canonical SMILES for bicyclo[3.2.2]nona-3,6-dien-2-ol is OC1C=CC2C=CC1CC2.
What is the InChIKey of bicyclo[3.2.2]nona-3,6-dien-2-ol?
The InChIKey is HYZSZYOUVKGGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O/c10-9-6-3-7-1-4-8(9)5-2-7/h1,3-4,6-10H,2,5H2.
What are the key properties of bicyclo[3.2.2]nona-3,6-dien-2-ol?
bicyclo[3.2.2]nona-3,6-dien-2-ol has a molecular weight of 136.19 g/mol, XLogP of 1.50, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[3.2.2]nona-3,6-dien-2-ol is sourced from PubChem (CID 130146867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).