2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane

C10H16 — CID 6616

IUPAC2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane
SMILESC=C1C2CCC(C2)C1(C)C
InChIInChI=1S/C10H16/c1-7-8-4-5-9(6-8)10(7,2)3/h8-9H,1,4-6H2,2-3H3
InChIKeyCRPUJAZIXJMDBK-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.00
Rot. Bonds

About 2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane

2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane (PubChem CID 6616) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane
PubChem CID6616
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane
SMILESC=C1C2CCC(C2)C1(C)C
InChIInChI=1S/C10H16/c1-7-8-4-5-9(6-8)10(7,2)3/h8-9H,1,4-6H2,2-3H3
InChIKeyCRPUJAZIXJMDBK-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
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 2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane?
The IUPAC name of 2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane (CID 6616) is 2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane.
What is the SMILES notation for 2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane?
The canonical SMILES for 2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane is C=C1C2CCC(C2)C1(C)C.
What is the InChIKey of 2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane?
The InChIKey is CRPUJAZIXJMDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-7-8-4-5-9(6-8)10(7,2)3/h8-9H,1,4-6H2,2-3H3.
What are the key properties of 2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane?
2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane has a molecular weight of 136.24 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane is sourced from PubChem (CID 6616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).