9-pent-2-enyl-1,4-dioxaspiro[4.4]non-7-ene

C12H18O2 — CID 71328502

IUPAC9-pent-2-enyl-1,4-dioxaspiro[4.4]non-7-ene
SMILESCCC=CCC1C=CCC12OCCO2
InChIInChI=1S/C12H18O2/c1-2-3-4-6-11-7-5-8-12(11)13-9-10-14-12/h3-5,7,11H,2,6,8-10H2,1H3
InChIKeyNAMMWDYLZXOVBJ-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.66
Rot. Bonds3

About 9-pent-2-enyl-1,4-dioxaspiro[4.4]non-7-ene

9-pent-2-enyl-1,4-dioxaspiro[4.4]non-7-ene (PubChem CID 71328502) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 9-pent-2-enyl-1,4-dioxaspiro[4.4]non-7-ene.

Molecular Properties

Compound Name9-pent-2-enyl-1,4-dioxaspiro[4.4]non-7-ene
PubChem CID71328502
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name9-pent-2-enyl-1,4-dioxaspiro[4.4]non-7-ene
SMILESCCC=CCC1C=CCC12OCCO2
InChIInChI=1S/C12H18O2/c1-2-3-4-6-11-7-5-8-12(11)13-9-10-14-12/h3-5,7,11H,2,6,8-10H2,1H3
InChIKeyNAMMWDYLZXOVBJ-UHFFFAOYSA-N
XLogP2.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.66
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 9-pent-2-enyl-1,4-dioxaspiro[4.4]non-7-ene?
The IUPAC name of 9-pent-2-enyl-1,4-dioxaspiro[4.4]non-7-ene (CID 71328502) is 9-pent-2-enyl-1,4-dioxaspiro[4.4]non-7-ene.
What is the SMILES notation for 9-pent-2-enyl-1,4-dioxaspiro[4.4]non-7-ene?
The canonical SMILES for 9-pent-2-enyl-1,4-dioxaspiro[4.4]non-7-ene is CCC=CCC1C=CCC12OCCO2.
What is the InChIKey of 9-pent-2-enyl-1,4-dioxaspiro[4.4]non-7-ene?
The InChIKey is NAMMWDYLZXOVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-2-3-4-6-11-7-5-8-12(11)13-9-10-14-12/h3-5,7,11H,2,6,8-10H2,1H3.
What are the key properties of 9-pent-2-enyl-1,4-dioxaspiro[4.4]non-7-ene?
9-pent-2-enyl-1,4-dioxaspiro[4.4]non-7-ene has a molecular weight of 194.27 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-pent-2-enyl-1,4-dioxaspiro[4.4]non-7-ene is sourced from PubChem (CID 71328502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).