2-propan-2-ylidenebicyclo[2.2.1]heptane

C10H16 — CID 12648921

IUPAC2-propan-2-ylidenebicyclo[2.2.1]heptane
SMILESCC(C)=C1CC2CCC1C2
InChIInChI=1S/C10H16/c1-7(2)10-6-8-3-4-9(10)5-8/h8-9H,3-6H2,1-2H3
InChIKeyQHJFJYRDVNTTOT-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.14
Rot. Bonds

About 2-propan-2-ylidenebicyclo[2.2.1]heptane

2-propan-2-ylidenebicyclo[2.2.1]heptane (PubChem CID 12648921) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 2-propan-2-ylidenebicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-propan-2-ylidenebicyclo[2.2.1]heptane
PubChem CID12648921
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name2-propan-2-ylidenebicyclo[2.2.1]heptane
SMILESCC(C)=C1CC2CCC1C2
InChIInChI=1S/C10H16/c1-7(2)10-6-8-3-4-9(10)5-8/h8-9H,3-6H2,1-2H3
InChIKeyQHJFJYRDVNTTOT-UHFFFAOYSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.14
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 2-propan-2-ylidenebicyclo[2.2.1]heptane?
The IUPAC name of 2-propan-2-ylidenebicyclo[2.2.1]heptane (CID 12648921) is 2-propan-2-ylidenebicyclo[2.2.1]heptane.
What is the SMILES notation for 2-propan-2-ylidenebicyclo[2.2.1]heptane?
The canonical SMILES for 2-propan-2-ylidenebicyclo[2.2.1]heptane is CC(C)=C1CC2CCC1C2.
What is the InChIKey of 2-propan-2-ylidenebicyclo[2.2.1]heptane?
The InChIKey is QHJFJYRDVNTTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-7(2)10-6-8-3-4-9(10)5-8/h8-9H,3-6H2,1-2H3.
What are the key properties of 2-propan-2-ylidenebicyclo[2.2.1]heptane?
2-propan-2-ylidenebicyclo[2.2.1]heptane has a molecular weight of 136.24 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylidenebicyclo[2.2.1]heptane is sourced from PubChem (CID 12648921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).