3-cyclopropylbuta-1,3-dien-2-ylcyclopropane

C10H14 — CID 12708981

IUPAC3-cyclopropylbuta-1,3-dien-2-ylcyclopropane
SMILESC=C(C(=C)C1CC1)C1CC1
InChIInChI=1S/C10H14/c1-7(9-3-4-9)8(2)10-5-6-10/h9-10H,1-6H2
InChIKeyIIPBKXNAELECML-UHFFFAOYSA-N
MW134.22 g/mol
LogP2.92
Rot. Bonds3

About 3-cyclopropylbuta-1,3-dien-2-ylcyclopropane

3-cyclopropylbuta-1,3-dien-2-ylcyclopropane (PubChem CID 12708981) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is 3-cyclopropylbuta-1,3-dien-2-ylcyclopropane.

Molecular Properties

Compound Name3-cyclopropylbuta-1,3-dien-2-ylcyclopropane
PubChem CID12708981
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name3-cyclopropylbuta-1,3-dien-2-ylcyclopropane
SMILESC=C(C(=C)C1CC1)C1CC1
InChIInChI=1S/C10H14/c1-7(9-3-4-9)8(2)10-5-6-10/h9-10H,1-6H2
InChIKeyIIPBKXNAELECML-UHFFFAOYSA-N
XLogP2.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropylbuta-1,3-dien-2-ylcyclopropane?
The IUPAC name of 3-cyclopropylbuta-1,3-dien-2-ylcyclopropane (CID 12708981) is 3-cyclopropylbuta-1,3-dien-2-ylcyclopropane.
What is the SMILES notation for 3-cyclopropylbuta-1,3-dien-2-ylcyclopropane?
The canonical SMILES for 3-cyclopropylbuta-1,3-dien-2-ylcyclopropane is C=C(C(=C)C1CC1)C1CC1.
What is the InChIKey of 3-cyclopropylbuta-1,3-dien-2-ylcyclopropane?
The InChIKey is IIPBKXNAELECML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14/c1-7(9-3-4-9)8(2)10-5-6-10/h9-10H,1-6H2.
What are the key properties of 3-cyclopropylbuta-1,3-dien-2-ylcyclopropane?
3-cyclopropylbuta-1,3-dien-2-ylcyclopropane has a molecular weight of 134.22 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropylbuta-1,3-dien-2-ylcyclopropane is sourced from PubChem (CID 12708981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).