3-cyclopropylpenta-1,4-dien-3-ylcyclopropane

C11H16 — CID 101095368

IUPAC3-cyclopropylpenta-1,4-dien-3-ylcyclopropane
SMILESC=CC(C=C)(C1CC1)C1CC1
InChIInChI=1S/C11H16/c1-3-11(4-2,9-5-6-9)10-7-8-10/h3-4,9-10H,1-2,5-8H2
InChIKeyOCEDUCSGBYTJTA-UHFFFAOYSA-N
MW148.25 g/mol
LogP3.16
Rot. Bonds4

About 3-cyclopropylpenta-1,4-dien-3-ylcyclopropane

3-cyclopropylpenta-1,4-dien-3-ylcyclopropane (PubChem CID 101095368) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is 3-cyclopropylpenta-1,4-dien-3-ylcyclopropane.

Molecular Properties

Compound Name3-cyclopropylpenta-1,4-dien-3-ylcyclopropane
PubChem CID101095368
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name3-cyclopropylpenta-1,4-dien-3-ylcyclopropane
SMILESC=CC(C=C)(C1CC1)C1CC1
InChIInChI=1S/C11H16/c1-3-11(4-2,9-5-6-9)10-7-8-10/h3-4,9-10H,1-2,5-8H2
InChIKeyOCEDUCSGBYTJTA-UHFFFAOYSA-N
XLogP3.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.16
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-cyclopropylpenta-1,4-dien-3-ylcyclopropane?
The IUPAC name of 3-cyclopropylpenta-1,4-dien-3-ylcyclopropane (CID 101095368) is 3-cyclopropylpenta-1,4-dien-3-ylcyclopropane.
What is the SMILES notation for 3-cyclopropylpenta-1,4-dien-3-ylcyclopropane?
The canonical SMILES for 3-cyclopropylpenta-1,4-dien-3-ylcyclopropane is C=CC(C=C)(C1CC1)C1CC1.
What is the InChIKey of 3-cyclopropylpenta-1,4-dien-3-ylcyclopropane?
The InChIKey is OCEDUCSGBYTJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16/c1-3-11(4-2,9-5-6-9)10-7-8-10/h3-4,9-10H,1-2,5-8H2.
What are the key properties of 3-cyclopropylpenta-1,4-dien-3-ylcyclopropane?
3-cyclopropylpenta-1,4-dien-3-ylcyclopropane has a molecular weight of 148.25 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropylpenta-1,4-dien-3-ylcyclopropane is sourced from PubChem (CID 101095368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).