2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane-1-carboxylic acid

C11H16O2 — CID 3637451

IUPAC2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane-1-carboxylic acid
SMILESC=C1C2CCC(C(=O)O)(C2)C1(C)C
InChIInChI=1S/C11H16O2/c1-7-8-4-5-11(6-8,9(12)13)10(7,2)3/h8H,1,4-6H2,2-3H3,(H,12,13)
InChIKeyZZGALJOLYVMECF-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.45
Rot. Bonds1

About 2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane-1-carboxylic acid

2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane-1-carboxylic acid (PubChem CID 3637451) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane-1-carboxylic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane-1-carboxylic acid
PubChem CID3637451
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane-1-carboxylic acid
SMILESC=C1C2CCC(C(=O)O)(C2)C1(C)C
InChIInChI=1S/C11H16O2/c1-7-8-4-5-11(6-8,9(12)13)10(7,2)3/h8H,1,4-6H2,2-3H3,(H,12,13)
InChIKeyZZGALJOLYVMECF-UHFFFAOYSA-N
XLogP2.45
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-1-carboxylic acid?
The IUPAC name of 2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane-1-carboxylic acid (CID 3637451) is 2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane-1-carboxylic acid.
What is the SMILES notation for 2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane-1-carboxylic acid?
The canonical SMILES for 2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane-1-carboxylic acid is C=C1C2CCC(C(=O)O)(C2)C1(C)C.
What is the InChIKey of 2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane-1-carboxylic acid?
The InChIKey is ZZGALJOLYVMECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-7-8-4-5-11(6-8,9(12)13)10(7,2)3/h8H,1,4-6H2,2-3H3,(H,12,13).
What are the key properties of 2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane-1-carboxylic acid?
2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane-1-carboxylic acid has a molecular weight of 180.25 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane-1-carboxylic acid is sourced from PubChem (CID 3637451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).