7-methylidenedispiro[2.0.24.13]heptane

C8H10 — CID 12902191

IUPAC7-methylidenedispiro[2.0.24.13]heptane
SMILESC=C1C2(CC2)C12CC2
InChIInChI=1S/C8H10/c1-6-7(2-3-7)8(6)4-5-8/h1-5H2
InChIKeyPQFGODFYRQJZOI-UHFFFAOYSA-N
MW106.17 g/mol
LogP2.12
Rot. Bonds

About 7-methylidenedispiro[2.0.24.13]heptane

7-methylidenedispiro[2.0.24.13]heptane (PubChem CID 12902191) has the molecular formula C8H10 and a molecular weight of 106.17 g/mol. Its IUPAC name is 7-methylidenedispiro[2.0.24.13]heptane.

Molecular Properties

Compound Name7-methylidenedispiro[2.0.24.13]heptane
PubChem CID12902191
Molecular FormulaC8H10
Molecular Weight106.17 g/mol
Exact Mass106.08
IUPAC Name7-methylidenedispiro[2.0.24.13]heptane
SMILESC=C1C2(CC2)C12CC2
InChIInChI=1S/C8H10/c1-6-7(2-3-7)8(6)4-5-8/h1-5H2
InChIKeyPQFGODFYRQJZOI-UHFFFAOYSA-N
XLogP2.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.17
LogP ≤ 52.12
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 7-methylidenedispiro[2.0.24.13]heptane?
The IUPAC name of 7-methylidenedispiro[2.0.24.13]heptane (CID 12902191) is 7-methylidenedispiro[2.0.24.13]heptane.
What is the SMILES notation for 7-methylidenedispiro[2.0.24.13]heptane?
The canonical SMILES for 7-methylidenedispiro[2.0.24.13]heptane is C=C1C2(CC2)C12CC2.
What is the InChIKey of 7-methylidenedispiro[2.0.24.13]heptane?
The InChIKey is PQFGODFYRQJZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10/c1-6-7(2-3-7)8(6)4-5-8/h1-5H2.
What are the key properties of 7-methylidenedispiro[2.0.24.13]heptane?
7-methylidenedispiro[2.0.24.13]heptane has a molecular weight of 106.17 g/mol, XLogP of 2.12, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylidenedispiro[2.0.24.13]heptane is sourced from PubChem (CID 12902191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).