2-prop-2-enylbicyclo[2.2.1]heptan-2-ol

C10H16O — CID 13450274

IUPAC2-prop-2-enylbicyclo[2.2.1]heptan-2-ol
SMILESC=CCC1(O)CC2CCC1C2
InChIInChI=1S/C10H16O/c1-2-5-10(11)7-8-3-4-9(10)6-8/h2,8-9,11H,1,3-7H2
InChIKeyNYCGWNUZVMTVKA-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.11
Rot. Bonds2

About 2-prop-2-enylbicyclo[2.2.1]heptan-2-ol

2-prop-2-enylbicyclo[2.2.1]heptan-2-ol (PubChem CID 13450274) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-prop-2-enylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name2-prop-2-enylbicyclo[2.2.1]heptan-2-ol
PubChem CID13450274
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name2-prop-2-enylbicyclo[2.2.1]heptan-2-ol
SMILESC=CCC1(O)CC2CCC1C2
InChIInChI=1S/C10H16O/c1-2-5-10(11)7-8-3-4-9(10)6-8/h2,8-9,11H,1,3-7H2
InChIKeyNYCGWNUZVMTVKA-UHFFFAOYSA-N
XLogP2.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2-prop-2-enylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of 2-prop-2-enylbicyclo[2.2.1]heptan-2-ol (CID 13450274) is 2-prop-2-enylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for 2-prop-2-enylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for 2-prop-2-enylbicyclo[2.2.1]heptan-2-ol is C=CCC1(O)CC2CCC1C2.
What is the InChIKey of 2-prop-2-enylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is NYCGWNUZVMTVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-2-5-10(11)7-8-3-4-9(10)6-8/h2,8-9,11H,1,3-7H2.
What are the key properties of 2-prop-2-enylbicyclo[2.2.1]heptan-2-ol?
2-prop-2-enylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 152.24 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 13450274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).