(2R)-6-methylidenebicyclo[2.2.1]heptan-2-ol

C8H12O — CID 135013318

IUPAC(2R)-6-methylidenebicyclo[2.2.1]heptan-2-ol
SMILESC=C1CC2CC1[C@H](O)C2
InChIInChI=1S/C8H12O/c1-5-2-6-3-7(5)8(9)4-6/h6-9H,1-4H2/t6?,7?,8-/m1/s1
InChIKeyJRDKLPNEKRBSRM-KAVNDROISA-N
MW124.18 g/mol
LogP1.33
Rot. Bonds

About (2R)-6-methylidenebicyclo[2.2.1]heptan-2-ol

(2R)-6-methylidenebicyclo[2.2.1]heptan-2-ol (PubChem CID 135013318) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is (2R)-6-methylidenebicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name(2R)-6-methylidenebicyclo[2.2.1]heptan-2-ol
PubChem CID135013318
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name(2R)-6-methylidenebicyclo[2.2.1]heptan-2-ol
SMILESC=C1CC2CC1[C@H](O)C2
InChIInChI=1S/C8H12O/c1-5-2-6-3-7(5)8(9)4-6/h6-9H,1-4H2/t6?,7?,8-/m1/s1
InChIKeyJRDKLPNEKRBSRM-KAVNDROISA-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

(1R,2R,4S)-6-methylidenebicyclo[2.2.2]octan-2-ol
CID 13196985
(1S,2R,4R)-6-(deuteriomethylidene)bicyclo[2.2.2]octan-2-ol
CID 16686487
(1S,2S,4R)-6-(deuteriomethylidene)bicyclo[2.2.2]octan-2-ol
CID 16686203
(1S,5S,6R)-3-chlorobicyclo[3.2.1]oct-3-en-6-ol
CID 130762609
2,4-dimethyl-7-methylidene-1,2,3,3a,4,5,6,7a-octahydroinden-5-ol
CID 174938123
(3S,5R)-4-methylidenetricyclo[3.2.1.03,6]octane
CID 160552073
2-ethenylcyclopropan-1-ol
CID 54500145
(3aS,4R,6aR,8S,9aR,9bS)-4,8-dihydroxy-3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one
CID 162996216
(1R,2R,6S)-5-methylidenebicyclo[4.1.0]heptan-2-ol
CID 102076041
(2R,4aR,8aS)-7-methyl-4-methylidene-2,3,4a,5,6,8a-hexahydro-1H-naphthalen-2-ol
CID 10932014
(2S)-5,6,7,8-tetramethylidenebicyclo[2.2.2]octan-2-ol
CID 13099278
4-(C-ethyl-N-methoxycarbonimidoyl)-3-(4-iodophenyl)bicyclo[3.2.1]oct-3-en-6-ol
CID 173135193

Frequently Asked Questions

What is the IUPAC name of (2R)-6-methylidenebicyclo[2.2.1]heptan-2-ol?
The IUPAC name of (2R)-6-methylidenebicyclo[2.2.1]heptan-2-ol (CID 135013318) is (2R)-6-methylidenebicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for (2R)-6-methylidenebicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for (2R)-6-methylidenebicyclo[2.2.1]heptan-2-ol is C=C1CC2CC1[C@H](O)C2.
What is the InChIKey of (2R)-6-methylidenebicyclo[2.2.1]heptan-2-ol?
The InChIKey is JRDKLPNEKRBSRM-KAVNDROISA-N. The full InChI is InChI=1S/C8H12O/c1-5-2-6-3-7(5)8(9)4-6/h6-9H,1-4H2/t6?,7?,8-/m1/s1.
What are the key properties of (2R)-6-methylidenebicyclo[2.2.1]heptan-2-ol?
(2R)-6-methylidenebicyclo[2.2.1]heptan-2-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 (2R)-6-methylidenebicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 135013318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).