(1R,4R)-5,6-dimethylidenebicyclo[2.2.2]oct-2-ene

C10H12 — CID 124556656

IUPAC(1R,4R)-5,6-dimethylidenebicyclo[2.2.2]oct-2-ene
SMILESC=C1C(=C)[C@H]2C=C[C@H]1CC2
InChIInChI=1S/C10H12/c1-7-8(2)10-5-3-9(7)4-6-10/h3,5,9-10H,1-2,4,6H2/t9-,10-/m0/s1
InChIKeyFGUYOMZFYKDVOZ-UWVGGRQHSA-N
MW132.21 g/mol
LogP2.69
Rot. Bonds

About (1R,4R)-5,6-dimethylidenebicyclo[2.2.2]oct-2-ene

(1R,4R)-5,6-dimethylidenebicyclo[2.2.2]oct-2-ene (PubChem CID 124556656) has the molecular formula C10H12 and a molecular weight of 132.21 g/mol. Its IUPAC name is (1R,4R)-5,6-dimethylidenebicyclo[2.2.2]oct-2-ene.

Molecular Properties

Compound Name(1R,4R)-5,6-dimethylidenebicyclo[2.2.2]oct-2-ene
PubChem CID124556656
Molecular FormulaC10H12
Molecular Weight132.21 g/mol
Exact Mass132.09
IUPAC Name(1R,4R)-5,6-dimethylidenebicyclo[2.2.2]oct-2-ene
SMILESC=C1C(=C)[C@H]2C=C[C@H]1CC2
InChIInChI=1S/C10H12/c1-7-8(2)10-5-3-9(7)4-6-10/h3,5,9-10H,1-2,4,6H2/t9-,10-/m0/s1
InChIKeyFGUYOMZFYKDVOZ-UWVGGRQHSA-N
XLogP2.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4R)-5,6-dimethylidenebicyclo[2.2.1]hept-2-ene
CID 134964182
(1R,4R)-bicyclo[2.2.1]hept-2-en-7-one
CID 50919073
(1R,3S,6R,8S)-tetracyclo[6.2.2.13,6.02,7]trideca-2(7),4,9-triene
CID 101270230
(1R,4S)-bicyclo[2.2.2]octa-2,5-diene-2,3-dicarbaldehyde
CID 10702135
3-(iodomethyl)-5-methylidenecyclopentene
CID 163770356
(1S,5R)-bicyclo[3.2.2]nona-3,6-dien-2-one
CID 11446357
(1R,9S)-tricyclo[7.2.2.02,8]trideca-2,7,10-trien-5-ol
CID 130735005
(1S,4R)-5-methylidene-6-(trichloromethylsulfonyl)bicyclo[2.2.2]oct-2-ene
CID 101012415
(1S)-4-(4-methylphenyl)cyclohex-2-en-1-amine
CID 155107146
(1R,8R)-3,6-dimethoxytricyclo[6.2.2.02,7]dodeca-2,4,6,9-tetraene
CID 98162391
7-methylidenebicyclo[2.2.1]hepta-1,2-diene
CID 149429263
(1R,5R)-bicyclo[3.2.2]non-6-en-2-one
CID 131021178

Frequently Asked Questions

What is the IUPAC name of (1R,4R)-5,6-dimethylidenebicyclo[2.2.2]oct-2-ene?
The IUPAC name of (1R,4R)-5,6-dimethylidenebicyclo[2.2.2]oct-2-ene (CID 124556656) is (1R,4R)-5,6-dimethylidenebicyclo[2.2.2]oct-2-ene.
What is the SMILES notation for (1R,4R)-5,6-dimethylidenebicyclo[2.2.2]oct-2-ene?
The canonical SMILES for (1R,4R)-5,6-dimethylidenebicyclo[2.2.2]oct-2-ene is C=C1C(=C)[C@H]2C=C[C@H]1CC2.
What is the InChIKey of (1R,4R)-5,6-dimethylidenebicyclo[2.2.2]oct-2-ene?
The InChIKey is FGUYOMZFYKDVOZ-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H12/c1-7-8(2)10-5-3-9(7)4-6-10/h3,5,9-10H,1-2,4,6H2/t9-,10-/m0/s1.
What are the key properties of (1R,4R)-5,6-dimethylidenebicyclo[2.2.2]oct-2-ene?
(1R,4R)-5,6-dimethylidenebicyclo[2.2.2]oct-2-ene has a molecular weight of 132.21 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-5,6-dimethylidenebicyclo[2.2.2]oct-2-ene is sourced from PubChem (CID 124556656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).