1-(2,3-dimethylcyclopropyl)bicyclo[3.1.1]heptane

C12H20 — CID 123877487

IUPAC1-(2,3-dimethylcyclopropyl)bicyclo[3.1.1]heptane
SMILESCC1C(C)C1C12CCCC(C1)C2
InChIInChI=1S/C12H20/c1-8-9(2)11(8)12-5-3-4-10(6-12)7-12/h8-11H,3-7H2,1-2H3
InChIKeyMZGWYDVQNJUAKW-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.47
Rot. Bonds1

About 1-(2,3-dimethylcyclopropyl)bicyclo[3.1.1]heptane

1-(2,3-dimethylcyclopropyl)bicyclo[3.1.1]heptane (PubChem CID 123877487) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 1-(2,3-dimethylcyclopropyl)bicyclo[3.1.1]heptane.

Molecular Properties

Compound Name1-(2,3-dimethylcyclopropyl)bicyclo[3.1.1]heptane
PubChem CID123877487
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name1-(2,3-dimethylcyclopropyl)bicyclo[3.1.1]heptane
SMILESCC1C(C)C1C12CCCC(C1)C2
InChIInChI=1S/C12H20/c1-8-9(2)11(8)12-5-3-4-10(6-12)7-12/h8-11H,3-7H2,1-2H3
InChIKeyMZGWYDVQNJUAKW-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylcyclopropyl)bicyclo[3.1.1]heptane?
The IUPAC name of 1-(2,3-dimethylcyclopropyl)bicyclo[3.1.1]heptane (CID 123877487) is 1-(2,3-dimethylcyclopropyl)bicyclo[3.1.1]heptane.
What is the SMILES notation for 1-(2,3-dimethylcyclopropyl)bicyclo[3.1.1]heptane?
The canonical SMILES for 1-(2,3-dimethylcyclopropyl)bicyclo[3.1.1]heptane is CC1C(C)C1C12CCCC(C1)C2.
What is the InChIKey of 1-(2,3-dimethylcyclopropyl)bicyclo[3.1.1]heptane?
The InChIKey is MZGWYDVQNJUAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-8-9(2)11(8)12-5-3-4-10(6-12)7-12/h8-11H,3-7H2,1-2H3.
What are the key properties of 1-(2,3-dimethylcyclopropyl)bicyclo[3.1.1]heptane?
1-(2,3-dimethylcyclopropyl)bicyclo[3.1.1]heptane has a molecular weight of 164.29 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylcyclopropyl)bicyclo[3.1.1]heptane is sourced from PubChem (CID 123877487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).