bicyclo[3.2.1]oct-3-en-6-ol

C8H12O — CID 5314599

IUPACbicyclo[3.2.1]oct-3-en-6-ol
SMILESOC1CC2CC=CC1C2
InChIInChI=1S/C8H12O/c9-8-5-6-2-1-3-7(8)4-6/h1,3,6-9H,2,4-5H2
InChIKeyMHVILVLQCCSHFK-UHFFFAOYSA-N
MW124.18 g/mol
LogP1.33
Rot. Bonds

About bicyclo[3.2.1]oct-3-en-6-ol

bicyclo[3.2.1]oct-3-en-6-ol (PubChem CID 5314599) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is bicyclo[3.2.1]oct-3-en-6-ol.

Molecular Properties

Compound Namebicyclo[3.2.1]oct-3-en-6-ol
PubChem CID5314599
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Namebicyclo[3.2.1]oct-3-en-6-ol
SMILESOC1CC2CC=CC1C2
InChIInChI=1S/C8H12O/c9-8-5-6-2-1-3-7(8)4-6/h1,3,6-9H,2,4-5H2
InChIKeyMHVILVLQCCSHFK-UHFFFAOYSA-N
XLogP1.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.33
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

bicyclo[3.2.1]oct-3-en-6-amine
CID 154547394
(1S,5R,6S)-bicyclo[3.2.0]hept-2-en-6-ol
CID 12648742
(1R,5S,6R)-bicyclo[3.2.0]hept-2-en-6-ol
CID 11116010
7-pentylbicyclo[3.2.1]oct-2-ene
CID 171097691
(1R)-bicyclo[2.2.1]hept-5-en-2-ol
CID 67822008
(1R,5S,8R)-bicyclo[3.2.1]oct-2-en-8-ol
CID 129413222
3-iodocyclobutene
CID 88872191
(1S,5S,6R)-3-chlorobicyclo[3.2.1]oct-3-en-6-ol
CID 130762609
(1R,5S,6S)-bicyclo[3.2.0]hept-3-en-6-ol
CID 11116009
5,6,7,9a-tetrahydro-4aH-benzo[7]annulen-6-ol
CID 68750664
tricyclo[4.3.0.02,4]non-7-ene
CID 154516658
5-iodocyclohex-2-en-1-ol
CID 146915953

Frequently Asked Questions

What is the IUPAC name of bicyclo[3.2.1]oct-3-en-6-ol?
The IUPAC name of bicyclo[3.2.1]oct-3-en-6-ol (CID 5314599) is bicyclo[3.2.1]oct-3-en-6-ol.
What is the SMILES notation for bicyclo[3.2.1]oct-3-en-6-ol?
The canonical SMILES for bicyclo[3.2.1]oct-3-en-6-ol is OC1CC2CC=CC1C2.
What is the InChIKey of bicyclo[3.2.1]oct-3-en-6-ol?
The InChIKey is MHVILVLQCCSHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c9-8-5-6-2-1-3-7(8)4-6/h1,3,6-9H,2,4-5H2.
What are the key properties of bicyclo[3.2.1]oct-3-en-6-ol?
bicyclo[3.2.1]oct-3-en-6-ol has a molecular weight of 124.18 g/mol, XLogP of 1.33, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[3.2.1]oct-3-en-6-ol is sourced from PubChem (CID 5314599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).