(9S)-9-prop-2-enyl-1,4-dioxaspiro[4.4]non-7-ene

C10H14O2 — CID 134928906

IUPAC(9S)-9-prop-2-enyl-1,4-dioxaspiro[4.4]non-7-ene
SMILESC=CC[C@H]1C=CCC12OCCO2
InChIInChI=1S/C10H14O2/c1-2-4-9-5-3-6-10(9)11-7-8-12-10/h2-3,5,9H,1,4,6-8H2/t9-/m0/s1
InChIKeyARBJITVYJPBKRT-VIFPVBQESA-N
MW166.22 g/mol
LogP1.88
Rot. Bonds2

About (9S)-9-prop-2-enyl-1,4-dioxaspiro[4.4]non-7-ene

(9S)-9-prop-2-enyl-1,4-dioxaspiro[4.4]non-7-ene (PubChem CID 134928906) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (9S)-9-prop-2-enyl-1,4-dioxaspiro[4.4]non-7-ene.

Molecular Properties

Compound Name(9S)-9-prop-2-enyl-1,4-dioxaspiro[4.4]non-7-ene
PubChem CID134928906
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(9S)-9-prop-2-enyl-1,4-dioxaspiro[4.4]non-7-ene
SMILESC=CC[C@H]1C=CCC12OCCO2
InChIInChI=1S/C10H14O2/c1-2-4-9-5-3-6-10(9)11-7-8-12-10/h2-3,5,9H,1,4,6-8H2/t9-/m0/s1
InChIKeyARBJITVYJPBKRT-VIFPVBQESA-N
XLogP1.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.88
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 (9S)-9-prop-2-enyl-1,4-dioxaspiro[4.4]non-7-ene?
The IUPAC name of (9S)-9-prop-2-enyl-1,4-dioxaspiro[4.4]non-7-ene (CID 134928906) is (9S)-9-prop-2-enyl-1,4-dioxaspiro[4.4]non-7-ene.
What is the SMILES notation for (9S)-9-prop-2-enyl-1,4-dioxaspiro[4.4]non-7-ene?
The canonical SMILES for (9S)-9-prop-2-enyl-1,4-dioxaspiro[4.4]non-7-ene is C=CC[C@H]1C=CCC12OCCO2.
What is the InChIKey of (9S)-9-prop-2-enyl-1,4-dioxaspiro[4.4]non-7-ene?
The InChIKey is ARBJITVYJPBKRT-VIFPVBQESA-N. The full InChI is InChI=1S/C10H14O2/c1-2-4-9-5-3-6-10(9)11-7-8-12-10/h2-3,5,9H,1,4,6-8H2/t9-/m0/s1.
What are the key properties of (9S)-9-prop-2-enyl-1,4-dioxaspiro[4.4]non-7-ene?
(9S)-9-prop-2-enyl-1,4-dioxaspiro[4.4]non-7-ene has a molecular weight of 166.22 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9S)-9-prop-2-enyl-1,4-dioxaspiro[4.4]non-7-ene is sourced from PubChem (CID 134928906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).