bicyclo[2.2.1]hepta-2,5-diene;methane;tricyclo[6.2.1.02,7]undeca-4,9-diene

C22H38 — CID 157423842

IUPACbicyclo[2.2.1]hepta-2,5-diene;methane;tricyclo[6.2.1.02,7]undeca-4,9-diene
SMILESC.C.C.C.C1=CC2C=CC1C2.C1=CCC2C3C=CC(C3)C2C1
InChIInChI=1S/C11H14.C7H8.4CH4/c1-2-4-11-9-6-5-8(7-9)10(11)3-1;1-2-7-4-3-6(1)5-7;;;;/h1-2,5-6,8-11H,3-4,7H2;1-4,6-7H,5H2;4*1H4
InChIKeyBPSODHPGTJYAAY-UHFFFAOYSA-N
MW302.55 g/mol
LogP7.07
Rot. Bonds

About bicyclo[2.2.1]hepta-2,5-diene;methane;tricyclo[6.2.1.02,7]undeca-4,9-diene

bicyclo[2.2.1]hepta-2,5-diene;methane;tricyclo[6.2.1.02,7]undeca-4,9-diene (PubChem CID 157423842) has the molecular formula C22H38 and a molecular weight of 302.55 g/mol. Its IUPAC name is bicyclo[2.2.1]hepta-2,5-diene;methane;tricyclo[6.2.1.02,7]undeca-4,9-diene.

Molecular Properties

Compound Namebicyclo[2.2.1]hepta-2,5-diene;methane;tricyclo[6.2.1.02,7]undeca-4,9-diene
PubChem CID157423842
Molecular FormulaC22H38
Molecular Weight302.55 g/mol
Exact Mass302.30
IUPAC Namebicyclo[2.2.1]hepta-2,5-diene;methane;tricyclo[6.2.1.02,7]undeca-4,9-diene
SMILESC.C.C.C.C1=CC2C=CC1C2.C1=CCC2C3C=CC(C3)C2C1
InChIInChI=1S/C11H14.C7H8.4CH4/c1-2-4-11-9-6-5-8(7-9)10(11)3-1;1-2-7-4-3-6(1)5-7;;;;/h1-2,5-6,8-11H,3-4,7H2;1-4,6-7H,5H2;4*1H4
InChIKeyBPSODHPGTJYAAY-UHFFFAOYSA-N
XLogP7.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.55
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bicyclo[2.2.1]hepta-2,5-diene;methane;tricyclo[6.2.1.02,7]undeca-4,9-diene with MolForge

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Related Compounds

tricyclo[4.3.0.02,4]non-7-ene
CID 154516658
(1R,2R,6R,7S)-tricyclo[5.2.1.02,6]deca-3,8-diene
CID 45356248
(1S,2S,6S,7S)-tricyclo[5.2.1.02,6]deca-3,8-diene
CID 98111802
tricyclo[5.2.1.02,6]deca-3,8-diene;zirconium
CID 173155873
heptacyclo[17.2.1.15,8.112,15.02,18.04,9.011,16]tetracosa-6,13,20-triene
CID 22949633
platinum(2+);tricyclo[5.2.1.02,6]deca-3,8-diene;dibromide
CID 23454665
(1R,2R,7S,8R)-tricyclo[6.2.1.02,7]undeca-4,9-dien-3-one
CID 98561435
pentacyclo[12.2.1.16,9.02,13.05,10]octadeca-7,15-diene
CID 23448609
formaldehyde;tricyclo[5.2.1.02,6]deca-3,8-diene;zirconium
CID 173371153
(1R,2S,5R,6R)-tricyclo[4.2.1.12,5]deca-3,7-diene
CID 98626620
(1R,2S,5S,6R)-tricyclo[4.2.1.12,5]deca-3,7-diene
CID 98626622
bicyclo[2.2.1]hepta-2,5-diene;bicyclo[2.2.2]octa-2,5-diene
CID 167623145

Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.1]hepta-2,5-diene;methane;tricyclo[6.2.1.02,7]undeca-4,9-diene?
The IUPAC name of bicyclo[2.2.1]hepta-2,5-diene;methane;tricyclo[6.2.1.02,7]undeca-4,9-diene (CID 157423842) is bicyclo[2.2.1]hepta-2,5-diene;methane;tricyclo[6.2.1.02,7]undeca-4,9-diene.
What is the SMILES notation for bicyclo[2.2.1]hepta-2,5-diene;methane;tricyclo[6.2.1.02,7]undeca-4,9-diene?
The canonical SMILES for bicyclo[2.2.1]hepta-2,5-diene;methane;tricyclo[6.2.1.02,7]undeca-4,9-diene is C.C.C.C.C1=CC2C=CC1C2.C1=CCC2C3C=CC(C3)C2C1.
What is the InChIKey of bicyclo[2.2.1]hepta-2,5-diene;methane;tricyclo[6.2.1.02,7]undeca-4,9-diene?
The InChIKey is BPSODHPGTJYAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14.C7H8.4CH4/c1-2-4-11-9-6-5-8(7-9)10(11)3-1;1-2-7-4-3-6(1)5-7;;;;/h1-2,5-6,8-11H,3-4,7H2;1-4,6-7H,5H2;4*1H4.
What are the key properties of bicyclo[2.2.1]hepta-2,5-diene;methane;tricyclo[6.2.1.02,7]undeca-4,9-diene?
bicyclo[2.2.1]hepta-2,5-diene;methane;tricyclo[6.2.1.02,7]undeca-4,9-diene has a molecular weight of 302.55 g/mol, XLogP of 7.07, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.1]hepta-2,5-diene;methane;tricyclo[6.2.1.02,7]undeca-4,9-diene is sourced from PubChem (CID 157423842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).