3,3-dicyclopropylcyclopropene

C9H12 — CID 12542073

IUPAC3,3-dicyclopropylcyclopropene
SMILESC1=CC1(C1CC1)C1CC1
InChIInChI=1S/C9H12/c1-2-7(1)9(5-6-9)8-3-4-8/h5-8H,1-4H2
InChIKeySUNWTAUPOHKDFQ-UHFFFAOYSA-N
MW120.19 g/mol
LogP2.36
Rot. Bonds2

About 3,3-dicyclopropylcyclopropene

3,3-dicyclopropylcyclopropene (PubChem CID 12542073) has the molecular formula C9H12 and a molecular weight of 120.19 g/mol. Its IUPAC name is 3,3-dicyclopropylcyclopropene.

Molecular Properties

Compound Name3,3-dicyclopropylcyclopropene
PubChem CID12542073
Molecular FormulaC9H12
Molecular Weight120.19 g/mol
Exact Mass120.09
IUPAC Name3,3-dicyclopropylcyclopropene
SMILESC1=CC1(C1CC1)C1CC1
InChIInChI=1S/C9H12/c1-2-7(1)9(5-6-9)8-3-4-8/h5-8H,1-4H2
InChIKeySUNWTAUPOHKDFQ-UHFFFAOYSA-N
XLogP2.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.19
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 3,3-dicyclopropylcyclopropene?
The IUPAC name of 3,3-dicyclopropylcyclopropene (CID 12542073) is 3,3-dicyclopropylcyclopropene.
What is the SMILES notation for 3,3-dicyclopropylcyclopropene?
The canonical SMILES for 3,3-dicyclopropylcyclopropene is C1=CC1(C1CC1)C1CC1.
What is the InChIKey of 3,3-dicyclopropylcyclopropene?
The InChIKey is SUNWTAUPOHKDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12/c1-2-7(1)9(5-6-9)8-3-4-8/h5-8H,1-4H2.
What are the key properties of 3,3-dicyclopropylcyclopropene?
3,3-dicyclopropylcyclopropene has a molecular weight of 120.19 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dicyclopropylcyclopropene is sourced from PubChem (CID 12542073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).