(4R,7R)-4,7-bis(ethenyl)-1-oxaspiro[2.4]heptane

C10H14O — CID 15111625

IUPAC(4R,7R)-4,7-bis(ethenyl)-1-oxaspiro[2.4]heptane
SMILESC=C[C@H]1CC[C@H](C=C)C12CO2
InChIInChI=1S/C10H14O/c1-3-8-5-6-9(4-2)10(8)7-11-10/h3-4,8-9H,1-2,5-7H2/t8-,9-/m0/s1
InChIKeyHTGWJSFAZSTFGQ-IUCAKERBSA-N
MW150.22 g/mol
LogP2.15
Rot. Bonds2

About (4R,7R)-4,7-bis(ethenyl)-1-oxaspiro[2.4]heptane

(4R,7R)-4,7-bis(ethenyl)-1-oxaspiro[2.4]heptane (PubChem CID 15111625) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is (4R,7R)-4,7-bis(ethenyl)-1-oxaspiro[2.4]heptane.

Molecular Properties

Compound Name(4R,7R)-4,7-bis(ethenyl)-1-oxaspiro[2.4]heptane
PubChem CID15111625
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name(4R,7R)-4,7-bis(ethenyl)-1-oxaspiro[2.4]heptane
SMILESC=C[C@H]1CC[C@H](C=C)C12CO2
InChIInChI=1S/C10H14O/c1-3-8-5-6-9(4-2)10(8)7-11-10/h3-4,8-9H,1-2,5-7H2/t8-,9-/m0/s1
InChIKeyHTGWJSFAZSTFGQ-IUCAKERBSA-N
XLogP2.15
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R,7R)-4,7-bis(ethenyl)-1-oxaspiro[2.4]heptane?
The IUPAC name of (4R,7R)-4,7-bis(ethenyl)-1-oxaspiro[2.4]heptane (CID 15111625) is (4R,7R)-4,7-bis(ethenyl)-1-oxaspiro[2.4]heptane.
What is the SMILES notation for (4R,7R)-4,7-bis(ethenyl)-1-oxaspiro[2.4]heptane?
The canonical SMILES for (4R,7R)-4,7-bis(ethenyl)-1-oxaspiro[2.4]heptane is C=C[C@H]1CC[C@H](C=C)C12CO2.
What is the InChIKey of (4R,7R)-4,7-bis(ethenyl)-1-oxaspiro[2.4]heptane?
The InChIKey is HTGWJSFAZSTFGQ-IUCAKERBSA-N. The full InChI is InChI=1S/C10H14O/c1-3-8-5-6-9(4-2)10(8)7-11-10/h3-4,8-9H,1-2,5-7H2/t8-,9-/m0/s1.
What are the key properties of (4R,7R)-4,7-bis(ethenyl)-1-oxaspiro[2.4]heptane?
(4R,7R)-4,7-bis(ethenyl)-1-oxaspiro[2.4]heptane has a molecular weight of 150.22 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,7R)-4,7-bis(ethenyl)-1-oxaspiro[2.4]heptane is sourced from PubChem (CID 15111625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).