7-methyl-1,4-dioxaspiro[4.5]dec-7-ene

C9H14O2 — CID 13214222

IUPAC7-methyl-1,4-dioxaspiro[4.5]dec-7-ene
SMILESCC1=CCCC2(C1)OCCO2
InChIInChI=1S/C9H14O2/c1-8-3-2-4-9(7-8)10-5-6-11-9/h3H,2,4-7H2,1H3
InChIKeyBWPDLOWPECZDAX-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.86
Rot. Bonds

About 7-methyl-1,4-dioxaspiro[4.5]dec-7-ene

7-methyl-1,4-dioxaspiro[4.5]dec-7-ene (PubChem CID 13214222) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 7-methyl-1,4-dioxaspiro[4.5]dec-7-ene.

Molecular Properties

Compound Name7-methyl-1,4-dioxaspiro[4.5]dec-7-ene
PubChem CID13214222
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name7-methyl-1,4-dioxaspiro[4.5]dec-7-ene
SMILESCC1=CCCC2(C1)OCCO2
InChIInChI=1S/C9H14O2/c1-8-3-2-4-9(7-8)10-5-6-11-9/h3H,2,4-7H2,1H3
InChIKeyBWPDLOWPECZDAX-UHFFFAOYSA-N
XLogP1.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.86
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 7-methyl-1,4-dioxaspiro[4.5]dec-7-ene?
The IUPAC name of 7-methyl-1,4-dioxaspiro[4.5]dec-7-ene (CID 13214222) is 7-methyl-1,4-dioxaspiro[4.5]dec-7-ene.
What is the SMILES notation for 7-methyl-1,4-dioxaspiro[4.5]dec-7-ene?
The canonical SMILES for 7-methyl-1,4-dioxaspiro[4.5]dec-7-ene is CC1=CCCC2(C1)OCCO2.
What is the InChIKey of 7-methyl-1,4-dioxaspiro[4.5]dec-7-ene?
The InChIKey is BWPDLOWPECZDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-8-3-2-4-9(7-8)10-5-6-11-9/h3H,2,4-7H2,1H3.
What are the key properties of 7-methyl-1,4-dioxaspiro[4.5]dec-7-ene?
7-methyl-1,4-dioxaspiro[4.5]dec-7-ene has a molecular weight of 154.21 g/mol, XLogP of 1.86, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1,4-dioxaspiro[4.5]dec-7-ene is sourced from PubChem (CID 13214222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).