2-ethenyl-6-prop-1-enylidenespiro[2.4]heptane

C12H16 — CID 571670

IUPAC2-ethenyl-6-prop-1-enylidenespiro[2.4]heptane
SMILESC=CC1CC12CCC(=C=CC)C2
InChIInChI=1S/C12H16/c1-3-5-10-6-7-12(8-10)9-11(12)4-2/h3-4,11H,2,6-9H2,1H3
InChIKeyRSLPXJWQMLQXQQ-UHFFFAOYSA-N
MW160.26 g/mol
LogP3.46
Rot. Bonds1

About 2-ethenyl-6-prop-1-enylidenespiro[2.4]heptane

2-ethenyl-6-prop-1-enylidenespiro[2.4]heptane (PubChem CID 571670) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is 2-ethenyl-6-prop-1-enylidenespiro[2.4]heptane.

Molecular Properties

Compound Name2-ethenyl-6-prop-1-enylidenespiro[2.4]heptane
PubChem CID571670
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Name2-ethenyl-6-prop-1-enylidenespiro[2.4]heptane
SMILESC=CC1CC12CCC(=C=CC)C2
InChIInChI=1S/C12H16/c1-3-5-10-6-7-12(8-10)9-11(12)4-2/h3-4,11H,2,6-9H2,1H3
InChIKeyRSLPXJWQMLQXQQ-UHFFFAOYSA-N
XLogP3.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 53.46
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 2-ethenyl-6-prop-1-enylidenespiro[2.4]heptane?
The IUPAC name of 2-ethenyl-6-prop-1-enylidenespiro[2.4]heptane (CID 571670) is 2-ethenyl-6-prop-1-enylidenespiro[2.4]heptane.
What is the SMILES notation for 2-ethenyl-6-prop-1-enylidenespiro[2.4]heptane?
The canonical SMILES for 2-ethenyl-6-prop-1-enylidenespiro[2.4]heptane is C=CC1CC12CCC(=C=CC)C2.
What is the InChIKey of 2-ethenyl-6-prop-1-enylidenespiro[2.4]heptane?
The InChIKey is RSLPXJWQMLQXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16/c1-3-5-10-6-7-12(8-10)9-11(12)4-2/h3-4,11H,2,6-9H2,1H3.
What are the key properties of 2-ethenyl-6-prop-1-enylidenespiro[2.4]heptane?
2-ethenyl-6-prop-1-enylidenespiro[2.4]heptane has a molecular weight of 160.26 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-6-prop-1-enylidenespiro[2.4]heptane is sourced from PubChem (CID 571670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).