7-methyl-4-oxaspiro[2.5]oct-6-ene

C8H12O — CID 143164265

IUPAC7-methyl-4-oxaspiro[2.5]oct-6-ene
SMILESCC1=CCOC2(CC2)C1
InChIInChI=1S/C8H12O/c1-7-2-5-9-8(6-7)3-4-8/h2H,3-6H2,1H3
InChIKeyDDAQTBLTKNFVRL-UHFFFAOYSA-N
MW124.18 g/mol
LogP1.89
Rot. Bonds

About 7-methyl-4-oxaspiro[2.5]oct-6-ene

7-methyl-4-oxaspiro[2.5]oct-6-ene (PubChem CID 143164265) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 7-methyl-4-oxaspiro[2.5]oct-6-ene.

Molecular Properties

Compound Name7-methyl-4-oxaspiro[2.5]oct-6-ene
PubChem CID143164265
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name7-methyl-4-oxaspiro[2.5]oct-6-ene
SMILESCC1=CCOC2(CC2)C1
InChIInChI=1S/C8H12O/c1-7-2-5-9-8(6-7)3-4-8/h2H,3-6H2,1H3
InChIKeyDDAQTBLTKNFVRL-UHFFFAOYSA-N
XLogP1.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(5S)-3-methyl-6-oxaspiro[4.5]deca-2,8-diene
CID 101200202
4-methyl-6,6-dipropyl-2,5-dihydropyran
CID 102376466
tert-butyl 8-methyl-5-oxa-2-azaspiro[3.5]non-7-ene-2-carboxylate
CID 146273012
(4aR,8aS)-6-methyl-1,2,3,4,5,8-hexahydronaphthalene-4a,8a-diol
CID 102105199
3-methylcyclohex-3-ene-1,1-dithiol
CID 156791845
4-methyl-1-oxa-8-azaspiro[4.5]dec-3-ene
CID 172575301
4-ethyl-5,5-dimethyl-2H-furan
CID 163379860
3-methylcyclopent-3-ene-1,1-dicarbaldehyde
CID 89079539
(5R)-3,7,7-trimethyl-6,8-dioxaspiro[4.5]dec-2-en-10-one
CID 121223722
5-oxa-8-azaspiro[3.5]non-7-ene
CID 123627438
(4S)-1,4,5,5-tetramethylcyclohexene
CID 145469931
(4R)-4-[(1S)-1,4-dimethylcyclohex-3-en-1-yl]-3-(hydroxymethyl)-4-methylcyclopent-2-en-1-one
CID 139584005

Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-oxaspiro[2.5]oct-6-ene?
The IUPAC name of 7-methyl-4-oxaspiro[2.5]oct-6-ene (CID 143164265) is 7-methyl-4-oxaspiro[2.5]oct-6-ene.
What is the SMILES notation for 7-methyl-4-oxaspiro[2.5]oct-6-ene?
The canonical SMILES for 7-methyl-4-oxaspiro[2.5]oct-6-ene is CC1=CCOC2(CC2)C1.
What is the InChIKey of 7-methyl-4-oxaspiro[2.5]oct-6-ene?
The InChIKey is DDAQTBLTKNFVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-7-2-5-9-8(6-7)3-4-8/h2H,3-6H2,1H3.
What are the key properties of 7-methyl-4-oxaspiro[2.5]oct-6-ene?
7-methyl-4-oxaspiro[2.5]oct-6-ene has a molecular weight of 124.18 g/mol, XLogP of 1.89, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-oxaspiro[2.5]oct-6-ene is sourced from PubChem (CID 143164265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).