1-cyclopropyl-1-(3-cyclopropylidenepropyl)cyclopropane

C12H18 — CID 46850498

IUPAC1-cyclopropyl-1-(3-cyclopropylidenepropyl)cyclopropane
SMILESC(CCC1(C2CC2)CC1)=C1CC1
InChIInChI=1S/C12H18/c1(2-10-3-4-10)7-12(8-9-12)11-5-6-11/h2,11H,1,3-9H2
InChIKeyVRRBQDXYVAHRET-UHFFFAOYSA-N
MW162.28 g/mol
LogP3.68
Rot. Bonds4

About 1-cyclopropyl-1-(3-cyclopropylidenepropyl)cyclopropane

1-cyclopropyl-1-(3-cyclopropylidenepropyl)cyclopropane (PubChem CID 46850498) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 1-cyclopropyl-1-(3-cyclopropylidenepropyl)cyclopropane.

Molecular Properties

Compound Name1-cyclopropyl-1-(3-cyclopropylidenepropyl)cyclopropane
PubChem CID46850498
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name1-cyclopropyl-1-(3-cyclopropylidenepropyl)cyclopropane
SMILESC(CCC1(C2CC2)CC1)=C1CC1
InChIInChI=1S/C12H18/c1(2-10-3-4-10)7-12(8-9-12)11-5-6-11/h2,11H,1,3-9H2
InChIKeyVRRBQDXYVAHRET-UHFFFAOYSA-N
XLogP3.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

alpha-Thujene
CID 17868
Bicyclogermacrene
CID 13894537
(-)-alpha-Thujene
CID 637518
(2Z,6Z)-3,7,11,11-tetramethylbicyclo[8.1.0]undeca-2,6-diene
CID 21159022
(+)-Bicyclogermacrene
CID 5315347
(1S,2E,10R)-3,7,11,11-tetramethylbicyclo[8.1.0]undeca-2,6-diene
CID 44583886
trans-Bicyclogermacradiene
CID 11820258
(+)-alpha-Thujene
CID 12444324
Isobicyclogermacrene
CID 16055278
(1S,2E,6E,10R)-3,7,11,11-tetramethylbicyclo(8.1.0)undeca-2,6-diene
CID 13894533
Isolepidozene
CID 13894538
cis-Bicyclogermacradiene
CID 91747210

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(3-cyclopropylidenepropyl)cyclopropane?
The IUPAC name of 1-cyclopropyl-1-(3-cyclopropylidenepropyl)cyclopropane (CID 46850498) is 1-cyclopropyl-1-(3-cyclopropylidenepropyl)cyclopropane.
What is the SMILES notation for 1-cyclopropyl-1-(3-cyclopropylidenepropyl)cyclopropane?
The canonical SMILES for 1-cyclopropyl-1-(3-cyclopropylidenepropyl)cyclopropane is C(CCC1(C2CC2)CC1)=C1CC1.
What is the InChIKey of 1-cyclopropyl-1-(3-cyclopropylidenepropyl)cyclopropane?
The InChIKey is VRRBQDXYVAHRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1(2-10-3-4-10)7-12(8-9-12)11-5-6-11/h2,11H,1,3-9H2.
What are the key properties of 1-cyclopropyl-1-(3-cyclopropylidenepropyl)cyclopropane?
1-cyclopropyl-1-(3-cyclopropylidenepropyl)cyclopropane has a molecular weight of 162.28 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(3-cyclopropylidenepropyl)cyclopropane is sourced from PubChem (CID 46850498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).