2-bicyclo[2.2.1]hept-5-enylmethanol;ethene

C10H16O — CID 86640905

IUPAC2-bicyclo[2.2.1]hept-5-enylmethanol;ethene
SMILESC=C.OCC1CC2C=CC1C2
InChIInChI=1S/C8H12O.C2H4/c9-5-8-4-6-1-2-7(8)3-6;1-2/h1-2,6-9H,3-5H2;1-2H2
InChIKeyTVRUDYBAVSXPLA-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.99
Rot. Bonds1

About 2-bicyclo[2.2.1]hept-5-enylmethanol;ethene

2-bicyclo[2.2.1]hept-5-enylmethanol;ethene (PubChem CID 86640905) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]hept-5-enylmethanol;ethene.

Molecular Properties

Compound Name2-bicyclo[2.2.1]hept-5-enylmethanol;ethene
PubChem CID86640905
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name2-bicyclo[2.2.1]hept-5-enylmethanol;ethene
SMILESC=C.OCC1CC2C=CC1C2
InChIInChI=1S/C8H12O.C2H4/c9-5-8-4-6-1-2-7(8)3-6;1-2/h1-2,6-9H,3-5H2;1-2H2
InChIKeyTVRUDYBAVSXPLA-UHFFFAOYSA-N
XLogP1.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.99
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-bicyclo[2.2.1]hept-5-enylmethanol;ethene?
The IUPAC name of 2-bicyclo[2.2.1]hept-5-enylmethanol;ethene (CID 86640905) is 2-bicyclo[2.2.1]hept-5-enylmethanol;ethene.
What is the SMILES notation for 2-bicyclo[2.2.1]hept-5-enylmethanol;ethene?
The canonical SMILES for 2-bicyclo[2.2.1]hept-5-enylmethanol;ethene is C=C.OCC1CC2C=CC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]hept-5-enylmethanol;ethene?
The InChIKey is TVRUDYBAVSXPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O.C2H4/c9-5-8-4-6-1-2-7(8)3-6;1-2/h1-2,6-9H,3-5H2;1-2H2.
What are the key properties of 2-bicyclo[2.2.1]hept-5-enylmethanol;ethene?
2-bicyclo[2.2.1]hept-5-enylmethanol;ethene has a molecular weight of 152.24 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]hept-5-enylmethanol;ethene is sourced from PubChem (CID 86640905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).