1-cyclopropylbuta-1,3-dienylcyclopropane

C10H14 — CID 12578306

IUPAC1-cyclopropylbuta-1,3-dienylcyclopropane
SMILESC=CC=C(C1CC1)C1CC1
InChIInChI=1S/C10H14/c1-2-3-10(8-4-5-8)9-6-7-9/h2-3,8-9H,1,4-7H2
InChIKeyHYOVDFQNDBDJJD-UHFFFAOYSA-N
MW134.22 g/mol
LogP2.92
Rot. Bonds3

About 1-cyclopropylbuta-1,3-dienylcyclopropane

1-cyclopropylbuta-1,3-dienylcyclopropane (PubChem CID 12578306) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is 1-cyclopropylbuta-1,3-dienylcyclopropane.

Molecular Properties

Compound Name1-cyclopropylbuta-1,3-dienylcyclopropane
PubChem CID12578306
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name1-cyclopropylbuta-1,3-dienylcyclopropane
SMILESC=CC=C(C1CC1)C1CC1
InChIInChI=1S/C10H14/c1-2-3-10(8-4-5-8)9-6-7-9/h2-3,8-9H,1,4-7H2
InChIKeyHYOVDFQNDBDJJD-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 1-cyclopropylbuta-1,3-dienylcyclopropane?
The IUPAC name of 1-cyclopropylbuta-1,3-dienylcyclopropane (CID 12578306) is 1-cyclopropylbuta-1,3-dienylcyclopropane.
What is the SMILES notation for 1-cyclopropylbuta-1,3-dienylcyclopropane?
The canonical SMILES for 1-cyclopropylbuta-1,3-dienylcyclopropane is C=CC=C(C1CC1)C1CC1.
What is the InChIKey of 1-cyclopropylbuta-1,3-dienylcyclopropane?
The InChIKey is HYOVDFQNDBDJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14/c1-2-3-10(8-4-5-8)9-6-7-9/h2-3,8-9H,1,4-7H2.
What are the key properties of 1-cyclopropylbuta-1,3-dienylcyclopropane?
1-cyclopropylbuta-1,3-dienylcyclopropane 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 1-cyclopropylbuta-1,3-dienylcyclopropane is sourced from PubChem (CID 12578306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).