(3R,4S)-3-ethenyl-5-oxaspiro[3.4]oct-7-en-6-one

C9H10O2 — CID 102096453

IUPAC(3R,4S)-3-ethenyl-5-oxaspiro[3.4]oct-7-en-6-one
SMILESC=C[C@H]1CC[C@]12C=CC(=O)O2
InChIInChI=1S/C9H10O2/c1-2-7-3-5-9(7)6-4-8(10)11-9/h2,4,6-7H,1,3,5H2/t7-,9-/m0/s1
InChIKeyRDMBWUMTXFZRDS-CBAPKCEASA-N
MW150.18 g/mol
LogP1.43
Rot. Bonds1

About (3R,4S)-3-ethenyl-5-oxaspiro[3.4]oct-7-en-6-one

(3R,4S)-3-ethenyl-5-oxaspiro[3.4]oct-7-en-6-one (PubChem CID 102096453) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is (3R,4S)-3-ethenyl-5-oxaspiro[3.4]oct-7-en-6-one.

Molecular Properties

Compound Name(3R,4S)-3-ethenyl-5-oxaspiro[3.4]oct-7-en-6-one
PubChem CID102096453
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name(3R,4S)-3-ethenyl-5-oxaspiro[3.4]oct-7-en-6-one
SMILESC=C[C@H]1CC[C@]12C=CC(=O)O2
InChIInChI=1S/C9H10O2/c1-2-7-3-5-9(7)6-4-8(10)11-9/h2,4,6-7H,1,3,5H2/t7-,9-/m0/s1
InChIKeyRDMBWUMTXFZRDS-CBAPKCEASA-N
XLogP1.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (3R,4S)-3-ethenyl-5-oxaspiro[3.4]oct-7-en-6-one?
The IUPAC name of (3R,4S)-3-ethenyl-5-oxaspiro[3.4]oct-7-en-6-one (CID 102096453) is (3R,4S)-3-ethenyl-5-oxaspiro[3.4]oct-7-en-6-one.
What is the SMILES notation for (3R,4S)-3-ethenyl-5-oxaspiro[3.4]oct-7-en-6-one?
The canonical SMILES for (3R,4S)-3-ethenyl-5-oxaspiro[3.4]oct-7-en-6-one is C=C[C@H]1CC[C@]12C=CC(=O)O2.
What is the InChIKey of (3R,4S)-3-ethenyl-5-oxaspiro[3.4]oct-7-en-6-one?
The InChIKey is RDMBWUMTXFZRDS-CBAPKCEASA-N. The full InChI is InChI=1S/C9H10O2/c1-2-7-3-5-9(7)6-4-8(10)11-9/h2,4,6-7H,1,3,5H2/t7-,9-/m0/s1.
What are the key properties of (3R,4S)-3-ethenyl-5-oxaspiro[3.4]oct-7-en-6-one?
(3R,4S)-3-ethenyl-5-oxaspiro[3.4]oct-7-en-6-one has a molecular weight of 150.18 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-ethenyl-5-oxaspiro[3.4]oct-7-en-6-one is sourced from PubChem (CID 102096453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).