1,2-dimethyl-4-methylidenebicyclo[1.1.1]pentane

C8H12 — CID 123498475

IUPAC1,2-dimethyl-4-methylidenebicyclo[1.1.1]pentane
SMILESC=C1C2CC1(C)C2C
InChIInChI=1S/C8H12/c1-5-7-4-8(5,3)6(7)2/h6-7H,1,4H2,2-3H3
InChIKeyGGGDELUGRVJKNE-UHFFFAOYSA-N
MW108.18 g/mol
LogP2.22
Rot. Bonds

About 1,2-dimethyl-4-methylidenebicyclo[1.1.1]pentane

1,2-dimethyl-4-methylidenebicyclo[1.1.1]pentane (PubChem CID 123498475) has the molecular formula C8H12 and a molecular weight of 108.18 g/mol. Its IUPAC name is 1,2-dimethyl-4-methylidenebicyclo[1.1.1]pentane.

Molecular Properties

Compound Name1,2-dimethyl-4-methylidenebicyclo[1.1.1]pentane
PubChem CID123498475
Molecular FormulaC8H12
Molecular Weight108.18 g/mol
Exact Mass108.09
IUPAC Name1,2-dimethyl-4-methylidenebicyclo[1.1.1]pentane
SMILESC=C1C2CC1(C)C2C
InChIInChI=1S/C8H12/c1-5-7-4-8(5,3)6(7)2/h6-7H,1,4H2,2-3H3
InChIKeyGGGDELUGRVJKNE-UHFFFAOYSA-N
XLogP2.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.18
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-methylidenebicyclo[1.1.1]pentane?
The IUPAC name of 1,2-dimethyl-4-methylidenebicyclo[1.1.1]pentane (CID 123498475) is 1,2-dimethyl-4-methylidenebicyclo[1.1.1]pentane.
What is the SMILES notation for 1,2-dimethyl-4-methylidenebicyclo[1.1.1]pentane?
The canonical SMILES for 1,2-dimethyl-4-methylidenebicyclo[1.1.1]pentane is C=C1C2CC1(C)C2C.
What is the InChIKey of 1,2-dimethyl-4-methylidenebicyclo[1.1.1]pentane?
The InChIKey is GGGDELUGRVJKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12/c1-5-7-4-8(5,3)6(7)2/h6-7H,1,4H2,2-3H3.
What are the key properties of 1,2-dimethyl-4-methylidenebicyclo[1.1.1]pentane?
1,2-dimethyl-4-methylidenebicyclo[1.1.1]pentane has a molecular weight of 108.18 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-methylidenebicyclo[1.1.1]pentane is sourced from PubChem (CID 123498475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).