3-ethenyl-1-methyl-5-methylidenebicyclo[2.2.2]octane-2,3-diol

C12H18O2 — CID 23967269

IUPAC3-ethenyl-1-methyl-5-methylidenebicyclo[2.2.2]octane-2,3-diol
SMILESC=CC1(O)C2CCC(C)(CC2=C)C1O
InChIInChI=1S/C12H18O2/c1-4-12(14)9-5-6-11(3,10(12)13)7-8(9)2/h4,9-10,13-14H,1-2,5-7H2,3H3
InChIKeyCERQQBMYVIDXMO-UHFFFAOYSA-N
MW194.27 g/mol
LogP1.64
Rot. Bonds1

About 3-ethenyl-1-methyl-5-methylidenebicyclo[2.2.2]octane-2,3-diol

3-ethenyl-1-methyl-5-methylidenebicyclo[2.2.2]octane-2,3-diol (PubChem CID 23967269) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 3-ethenyl-1-methyl-5-methylidenebicyclo[2.2.2]octane-2,3-diol.

Molecular Properties

Compound Name3-ethenyl-1-methyl-5-methylidenebicyclo[2.2.2]octane-2,3-diol
PubChem CID23967269
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name3-ethenyl-1-methyl-5-methylidenebicyclo[2.2.2]octane-2,3-diol
SMILESC=CC1(O)C2CCC(C)(CC2=C)C1O
InChIInChI=1S/C12H18O2/c1-4-12(14)9-5-6-11(3,10(12)13)7-8(9)2/h4,9-10,13-14H,1-2,5-7H2,3H3
InChIKeyCERQQBMYVIDXMO-UHFFFAOYSA-N
XLogP1.64
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-1-methyl-5-methylidenebicyclo[2.2.2]octane-2,3-diol?
The IUPAC name of 3-ethenyl-1-methyl-5-methylidenebicyclo[2.2.2]octane-2,3-diol (CID 23967269) is 3-ethenyl-1-methyl-5-methylidenebicyclo[2.2.2]octane-2,3-diol.
What is the SMILES notation for 3-ethenyl-1-methyl-5-methylidenebicyclo[2.2.2]octane-2,3-diol?
The canonical SMILES for 3-ethenyl-1-methyl-5-methylidenebicyclo[2.2.2]octane-2,3-diol is C=CC1(O)C2CCC(C)(CC2=C)C1O.
What is the InChIKey of 3-ethenyl-1-methyl-5-methylidenebicyclo[2.2.2]octane-2,3-diol?
The InChIKey is CERQQBMYVIDXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-4-12(14)9-5-6-11(3,10(12)13)7-8(9)2/h4,9-10,13-14H,1-2,5-7H2,3H3.
What are the key properties of 3-ethenyl-1-methyl-5-methylidenebicyclo[2.2.2]octane-2,3-diol?
3-ethenyl-1-methyl-5-methylidenebicyclo[2.2.2]octane-2,3-diol has a molecular weight of 194.27 g/mol, XLogP of 1.64, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1-methyl-5-methylidenebicyclo[2.2.2]octane-2,3-diol is sourced from PubChem (CID 23967269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).