2-ethenyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol

C12H20O — CID 14811557

IUPAC2-ethenyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
SMILESC=CC1(O)CC2CCC1(C)C2(C)C
InChIInChI=1S/C12H20O/c1-5-12(13)8-9-6-7-11(12,4)10(9,2)3/h5,9,13H,1,6-8H2,2-4H3
InChIKeyGCIUUXWWELOLLP-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.75
Rot. Bonds1

About 2-ethenyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol

2-ethenyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol (PubChem CID 14811557) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 2-ethenyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name2-ethenyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
PubChem CID14811557
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name2-ethenyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
SMILESC=CC1(O)CC2CCC1(C)C2(C)C
InChIInChI=1S/C12H20O/c1-5-12(13)8-9-6-7-11(12,4)10(9,2)3/h5,9,13H,1,6-8H2,2-4H3
InChIKeyGCIUUXWWELOLLP-UHFFFAOYSA-N
XLogP2.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.75
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-ethenyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of 2-ethenyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol (CID 14811557) is 2-ethenyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for 2-ethenyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for 2-ethenyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol is C=CC1(O)CC2CCC1(C)C2(C)C.
What is the InChIKey of 2-ethenyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is GCIUUXWWELOLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-5-12(13)8-9-6-7-11(12,4)10(9,2)3/h5,9,13H,1,6-8H2,2-4H3.
What are the key properties of 2-ethenyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
2-ethenyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 180.29 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 14811557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).