7-methyl-1,4-dioxaspiro[4.5]dec-6-ene

C9H14O2 — CID 11137430

IUPAC7-methyl-1,4-dioxaspiro[4.5]dec-6-ene
SMILESCC1=CC2(CCC1)OCCO2
InChIInChI=1S/C9H14O2/c1-8-3-2-4-9(7-8)10-5-6-11-9/h7H,2-6H2,1H3
InChIKeyLNSRBJBDTPPSHW-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.86
Rot. Bonds

About 7-methyl-1,4-dioxaspiro[4.5]dec-6-ene

7-methyl-1,4-dioxaspiro[4.5]dec-6-ene (PubChem CID 11137430) 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-6-ene.

Molecular Properties

Compound Name7-methyl-1,4-dioxaspiro[4.5]dec-6-ene
PubChem CID11137430
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name7-methyl-1,4-dioxaspiro[4.5]dec-6-ene
SMILESCC1=CC2(CCC1)OCCO2
InChIInChI=1S/C9H14O2/c1-8-3-2-4-9(7-8)10-5-6-11-9/h7H,2-6H2,1H3
InChIKeyLNSRBJBDTPPSHW-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'}

Analyze 7-methyl-1,4-dioxaspiro[4.5]dec-6-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

1,4-Dioxaspiro(4.6)undec-6-ene
CID 279481
1,4-Dioxaspiro[4.5]dec-6-ene
CID 559316
(2R,3R)-2,3-dimethyl-1,4-dioxaspiro[4.5]dec-6-ene
CID 13297721
7-Pent-4-ynyl-1,4-dioxaspiro[4.5]dec-6-ene
CID 85819494
6-Methyl-1,4-dioxaspiro[4.5]dec-6-ene
CID 11137374
7-Methyl-1,4-dioxaspiro[4.5]dec-7-ene
CID 13214222
(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
7,9,9-Trimethyl-8-methylidene-1,4-dioxaspiro[4.5]dec-6-ene
CID 10845495
(3aR,7aS)-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole
CID 11768786
8-Methyl-1,4-dioxaspiro[4.5]dec-7-ene
CID 13023893
8-Propylidene-1,4-dioxaspiro[4.5]decane
CID 102119364

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1,4-dioxaspiro[4.5]dec-6-ene?
The IUPAC name of 7-methyl-1,4-dioxaspiro[4.5]dec-6-ene (CID 11137430) is 7-methyl-1,4-dioxaspiro[4.5]dec-6-ene.
What is the SMILES notation for 7-methyl-1,4-dioxaspiro[4.5]dec-6-ene?
The canonical SMILES for 7-methyl-1,4-dioxaspiro[4.5]dec-6-ene is CC1=CC2(CCC1)OCCO2.
What is the InChIKey of 7-methyl-1,4-dioxaspiro[4.5]dec-6-ene?
The InChIKey is LNSRBJBDTPPSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-8-3-2-4-9(7-8)10-5-6-11-9/h7H,2-6H2,1H3.
What are the key properties of 7-methyl-1,4-dioxaspiro[4.5]dec-6-ene?
7-methyl-1,4-dioxaspiro[4.5]dec-6-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-6-ene is sourced from PubChem (CID 11137430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).