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

C10H15Cl — CID 22641151

IUPAC1-chloro-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane
SMILESC=C1C2CCC(Cl)(C2)C1(C)C
InChIInChI=1S/C10H15Cl/c1-7-8-4-5-10(11,6-8)9(7,2)3/h8H,1,4-6H2,2-3H3
InChIKeyFKVDRABNRUKTDK-UHFFFAOYSA-N
MW170.68 g/mol
LogP3.36
Rot. Bonds

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

1-chloro-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane (PubChem CID 22641151) has the molecular formula C10H15Cl and a molecular weight of 170.68 g/mol. Its IUPAC name is 1-chloro-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane.

Molecular Properties

Compound Name1-chloro-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane
PubChem CID22641151
Molecular FormulaC10H15Cl
Molecular Weight170.68 g/mol
Exact Mass170.09
IUPAC Name1-chloro-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane
SMILESC=C1C2CCC(Cl)(C2)C1(C)C
InChIInChI=1S/C10H15Cl/c1-7-8-4-5-10(11,6-8)9(7,2)3/h8H,1,4-6H2,2-3H3
InChIKeyFKVDRABNRUKTDK-UHFFFAOYSA-N
XLogP3.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.68
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane?
The IUPAC name of 1-chloro-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane (CID 22641151) is 1-chloro-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane.
What is the SMILES notation for 1-chloro-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane?
The canonical SMILES for 1-chloro-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane is C=C1C2CCC(Cl)(C2)C1(C)C.
What is the InChIKey of 1-chloro-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane?
The InChIKey is FKVDRABNRUKTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Cl/c1-7-8-4-5-10(11,6-8)9(7,2)3/h8H,1,4-6H2,2-3H3.
What are the key properties of 1-chloro-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane?
1-chloro-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane has a molecular weight of 170.68 g/mol, XLogP of 3.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane is sourced from PubChem (CID 22641151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).