bicyclo[2.1.1]hex-2-en-2-ol

C6H8O — CID 135050175

IUPACbicyclo[2.1.1]hex-2-en-2-ol
SMILESOC1=CC2CC1C2
InChIInChI=1S/C6H8O/c7-6-3-4-1-5(6)2-4/h3-5,7H,1-2H2
InChIKeyKKHBTWBRBJFADP-UHFFFAOYSA-N
MW96.13 g/mol
LogP1.47
Rot. Bonds

About bicyclo[2.1.1]hex-2-en-2-ol

bicyclo[2.1.1]hex-2-en-2-ol (PubChem CID 135050175) has the molecular formula C6H8O and a molecular weight of 96.13 g/mol. Its IUPAC name is bicyclo[2.1.1]hex-2-en-2-ol.

Molecular Properties

Compound Namebicyclo[2.1.1]hex-2-en-2-ol
PubChem CID135050175
Molecular FormulaC6H8O
Molecular Weight96.13 g/mol
Exact Mass96.06
IUPAC Namebicyclo[2.1.1]hex-2-en-2-ol
SMILESOC1=CC2CC1C2
InChIInChI=1S/C6H8O/c7-6-3-4-1-5(6)2-4/h3-5,7H,1-2H2
InChIKeyKKHBTWBRBJFADP-UHFFFAOYSA-N
XLogP1.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of bicyclo[2.1.1]hex-2-en-2-ol?
The IUPAC name of bicyclo[2.1.1]hex-2-en-2-ol (CID 135050175) is bicyclo[2.1.1]hex-2-en-2-ol.
What is the SMILES notation for bicyclo[2.1.1]hex-2-en-2-ol?
The canonical SMILES for bicyclo[2.1.1]hex-2-en-2-ol is OC1=CC2CC1C2.
What is the InChIKey of bicyclo[2.1.1]hex-2-en-2-ol?
The InChIKey is KKHBTWBRBJFADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O/c7-6-3-4-1-5(6)2-4/h3-5,7H,1-2H2.
What are the key properties of bicyclo[2.1.1]hex-2-en-2-ol?
bicyclo[2.1.1]hex-2-en-2-ol has a molecular weight of 96.13 g/mol, XLogP of 1.47, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.1.1]hex-2-en-2-ol is sourced from PubChem (CID 135050175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).