1-(2-bicyclo[2.2.1]hept-5-enyl)-2-methylpropan-2-ol

C11H18O — CID 58388555

IUPAC1-(2-bicyclo[2.2.1]hept-5-enyl)-2-methylpropan-2-ol
SMILESCC(C)(O)CC1CC2C=CC1C2
InChIInChI=1S/C11H18O/c1-11(2,12)7-10-6-8-3-4-9(10)5-8/h3-4,8-10,12H,5-7H2,1-2H3
InChIKeyBDIACXLCUHNWCM-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.36
Rot. Bonds2

About 1-(2-bicyclo[2.2.1]hept-5-enyl)-2-methylpropan-2-ol

1-(2-bicyclo[2.2.1]hept-5-enyl)-2-methylpropan-2-ol (PubChem CID 58388555) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]hept-5-enyl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]hept-5-enyl)-2-methylpropan-2-ol
PubChem CID58388555
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name1-(2-bicyclo[2.2.1]hept-5-enyl)-2-methylpropan-2-ol
SMILESCC(C)(O)CC1CC2C=CC1C2
InChIInChI=1S/C11H18O/c1-11(2,12)7-10-6-8-3-4-9(10)5-8/h3-4,8-10,12H,5-7H2,1-2H3
InChIKeyBDIACXLCUHNWCM-UHFFFAOYSA-N
XLogP2.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.36
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

2-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 51777258
5-(2,2-dimethylpropyl)bicyclo[2.2.1]hept-2-ene;methoxymethane
CID 158426911
1-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylpropan-2-ol
CID 65102612
[4-(2-bicyclo[2.2.1]hept-5-enyl)-3,3-dichloro-2-methylbutan-2-yl]silane
CID 123972644
5-[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-2-methylpent-3-yn-2-ol
CID 98153361
ethyl 4-(2-bicyclo[2.2.1]hept-5-enyl)-3-hydroxy-3-methylbutanoate
CID 21348826
(1S,4S,5R)-5-ethylbicyclo[2.2.1]hept-2-ene
CID 96570682
5-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]bicyclo[2.2.1]hept-2-ene
CID 160903518
CID 22228993
CID 22228993
CID 22229003
CID 22229003
2-bicyclo[2.2.1]hept-5-enylmethanamine;methane
CID 169244944
2-(2-bicyclo[2.2.1]hept-5-enylmethoxy)propan-2-ol;5-methylbicyclo[2.2.1]hept-2-ene
CID 142112482

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enyl)-2-methylpropan-2-ol?
The IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enyl)-2-methylpropan-2-ol (CID 58388555) is 1-(2-bicyclo[2.2.1]hept-5-enyl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]hept-5-enyl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(2-bicyclo[2.2.1]hept-5-enyl)-2-methylpropan-2-ol is CC(C)(O)CC1CC2C=CC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]hept-5-enyl)-2-methylpropan-2-ol?
The InChIKey is BDIACXLCUHNWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-11(2,12)7-10-6-8-3-4-9(10)5-8/h3-4,8-10,12H,5-7H2,1-2H3.
What are the key properties of 1-(2-bicyclo[2.2.1]hept-5-enyl)-2-methylpropan-2-ol?
1-(2-bicyclo[2.2.1]hept-5-enyl)-2-methylpropan-2-ol has a molecular weight of 166.26 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]hept-5-enyl)-2-methylpropan-2-ol is sourced from PubChem (CID 58388555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).