8-methyl-1,4-dioxaspiro[4.4]non-8-ene

C8H12O2 — CID 12933125

IUPAC8-methyl-1,4-dioxaspiro[4.4]non-8-ene
SMILESCC1=CC2(CC1)OCCO2
InChIInChI=1S/C8H12O2/c1-7-2-3-8(6-7)9-4-5-10-8/h6H,2-5H2,1H3
InChIKeyIPNFSUPBXZIWCP-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.47
Rot. Bonds

About 8-methyl-1,4-dioxaspiro[4.4]non-8-ene

8-methyl-1,4-dioxaspiro[4.4]non-8-ene (PubChem CID 12933125) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 8-methyl-1,4-dioxaspiro[4.4]non-8-ene.

Molecular Properties

Compound Name8-methyl-1,4-dioxaspiro[4.4]non-8-ene
PubChem CID12933125
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name8-methyl-1,4-dioxaspiro[4.4]non-8-ene
SMILESCC1=CC2(CC1)OCCO2
InChIInChI=1S/C8H12O2/c1-7-2-3-8(6-7)9-4-5-10-8/h6H,2-5H2,1H3
InChIKeyIPNFSUPBXZIWCP-UHFFFAOYSA-N
XLogP1.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 8-methyl-1,4-dioxaspiro[4.4]non-8-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Cyclopent-2-en-1-one-ethyleneacetal
CID 69668
1,4-Dioxaspiro[4.5]dec-6-ene
CID 559316
7-Methyl-1,4-dioxaspiro[4.5]dec-6-ene
CID 11137430
(2R,3R)-2,3-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene
CID 13297721
6-Methyl-1,4-dioxaspiro[4.5]dec-6-ene
CID 11137374
2,2-Bis(2-methylprop-1-enyl)-1,3-dioxolane
CID 23064938
(3aS,7aR)-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole
CID 58805455
7-(Fluoromethyl)-1,4-dioxaspiro[4.5]dec-6-ene
CID 170721185
(3aR,7aS)-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole
CID 11768786
2-Methyl-2-(2-methylprop-1-enyl)-1,3-dioxolane
CID 15564251
2,2,8-Trimethyl-1,3-dioxaspiro[4.4]non-8-ene
CID 11355699
1,4-Dioxaspiro[4.4]non-8-en-9-ylmethyl(trimethyl)silane
CID 15134696

Frequently Asked Questions

What is the IUPAC name of 8-methyl-1,4-dioxaspiro[4.4]non-8-ene?
The IUPAC name of 8-methyl-1,4-dioxaspiro[4.4]non-8-ene (CID 12933125) is 8-methyl-1,4-dioxaspiro[4.4]non-8-ene.
What is the SMILES notation for 8-methyl-1,4-dioxaspiro[4.4]non-8-ene?
The canonical SMILES for 8-methyl-1,4-dioxaspiro[4.4]non-8-ene is CC1=CC2(CC1)OCCO2.
What is the InChIKey of 8-methyl-1,4-dioxaspiro[4.4]non-8-ene?
The InChIKey is IPNFSUPBXZIWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-7-2-3-8(6-7)9-4-5-10-8/h6H,2-5H2,1H3.
What are the key properties of 8-methyl-1,4-dioxaspiro[4.4]non-8-ene?
8-methyl-1,4-dioxaspiro[4.4]non-8-ene has a molecular weight of 140.18 g/mol, XLogP of 1.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1,4-dioxaspiro[4.4]non-8-ene is sourced from PubChem (CID 12933125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).