trans-(1R,2R)-1-(3-cyclopropylpropyl)-2-prop-2-enylcyclopropane

C12H20 — CID 6427686

IUPACtrans-(1R,2R)-1-(3-cyclopropylpropyl)-2-prop-2-enylcyclopropane
SMILESC=CC[C@@H]1C[C@H]1CCCC1CC1
InChIInChI=1S/C12H20/c1-2-4-11-9-12(11)6-3-5-10-7-8-10/h2,10-12H,1,3-9H2/t11-,12-/m1/s1
InChIKeyQGVURVXQAOBWIY-VXGBXAGGSA-N
MW164.29 g/mol
LogP3.78
Rot. Bonds6

About trans-(1R,2R)-1-(3-cyclopropylpropyl)-2-prop-2-enylcyclopropane

trans-(1R,2R)-1-(3-cyclopropylpropyl)-2-prop-2-enylcyclopropane (PubChem CID 6427686) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is trans-(1R,2R)-1-(3-cyclopropylpropyl)-2-prop-2-enylcyclopropane.

Molecular Properties

Compound Nametrans-(1R,2R)-1-(3-cyclopropylpropyl)-2-prop-2-enylcyclopropane
PubChem CID6427686
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Nametrans-(1R,2R)-1-(3-cyclopropylpropyl)-2-prop-2-enylcyclopropane
SMILESC=CC[C@@H]1C[C@H]1CCCC1CC1
InChIInChI=1S/C12H20/c1-2-4-11-9-12(11)6-3-5-10-7-8-10/h2,10-12H,1,3-9H2/t11-,12-/m1/s1
InChIKeyQGVURVXQAOBWIY-VXGBXAGGSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze trans-(1R,2R)-1-(3-cyclopropylpropyl)-2-prop-2-enylcyclopropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-1-(3-cyclopropylpropyl)-2-prop-2-enylcyclopropane?
The IUPAC name of trans-(1R,2R)-1-(3-cyclopropylpropyl)-2-prop-2-enylcyclopropane (CID 6427686) is trans-(1R,2R)-1-(3-cyclopropylpropyl)-2-prop-2-enylcyclopropane.
What is the SMILES notation for trans-(1R,2R)-1-(3-cyclopropylpropyl)-2-prop-2-enylcyclopropane?
The canonical SMILES for trans-(1R,2R)-1-(3-cyclopropylpropyl)-2-prop-2-enylcyclopropane is C=CC[C@@H]1C[C@H]1CCCC1CC1.
What is the InChIKey of trans-(1R,2R)-1-(3-cyclopropylpropyl)-2-prop-2-enylcyclopropane?
The InChIKey is QGVURVXQAOBWIY-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H20/c1-2-4-11-9-12(11)6-3-5-10-7-8-10/h2,10-12H,1,3-9H2/t11-,12-/m1/s1.
What are the key properties of trans-(1R,2R)-1-(3-cyclopropylpropyl)-2-prop-2-enylcyclopropane?
trans-(1R,2R)-1-(3-cyclopropylpropyl)-2-prop-2-enylcyclopropane has a molecular weight of 164.29 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1-(3-cyclopropylpropyl)-2-prop-2-enylcyclopropane is sourced from PubChem (CID 6427686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).