4-methyl-1,2-dioxaspiro[2.5]octane

C7H12O2 — CID 15728156

IUPAC4-methyl-1,2-dioxaspiro[2.5]octane
SMILESCC1CCCCC12OO2
InChIInChI=1S/C7H12O2/c1-6-4-2-3-5-7(6)8-9-7/h6H,2-5H2,1H3
InChIKeyVYIQERCSPCNOAP-UHFFFAOYSA-N
MW128.17 g/mol
LogP1.85
Rot. Bonds

About 4-methyl-1,2-dioxaspiro[2.5]octane

4-methyl-1,2-dioxaspiro[2.5]octane (PubChem CID 15728156) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 4-methyl-1,2-dioxaspiro[2.5]octane.

Molecular Properties

Compound Name4-methyl-1,2-dioxaspiro[2.5]octane
PubChem CID15728156
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name4-methyl-1,2-dioxaspiro[2.5]octane
SMILESCC1CCCCC12OO2
InChIInChI=1S/C7H12O2/c1-6-4-2-3-5-7(6)8-9-7/h6H,2-5H2,1H3
InChIKeyVYIQERCSPCNOAP-UHFFFAOYSA-N
XLogP1.85
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

6-methyl-3-methylidene-1,4-dioxaspiro[4.5]decane
CID 13168930
(9R)-9-methylspiro[3.5]nonane
CID 140885739
2,4-dimethyl-1-oxaspiro[2.5]octane
CID 45120446
1,1-difluoro-2-methylcyclohexane
CID 15044189
1,1,2-trimethylcycloundecane
CID 544748
2-methyloxirane;1,1,2-trimethylcyclohexane
CID 20977929
methanol;1,1,2-trimethylcyclohexane
CID 70292509
2,5,11,14-tetramethyl-7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecane
CID 10469126
1,1-dibromo-2-methylcycloheptane
CID 70854356
CID 173459900
CID 173459900
(4S)-4-methylspiro[4.4]nonane
CID 148967518
6-methyl-3-phenyl-1,4-dioxaspiro[4.5]decane
CID 71383959

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,2-dioxaspiro[2.5]octane?
The IUPAC name of 4-methyl-1,2-dioxaspiro[2.5]octane (CID 15728156) is 4-methyl-1,2-dioxaspiro[2.5]octane.
What is the SMILES notation for 4-methyl-1,2-dioxaspiro[2.5]octane?
The canonical SMILES for 4-methyl-1,2-dioxaspiro[2.5]octane is CC1CCCCC12OO2.
What is the InChIKey of 4-methyl-1,2-dioxaspiro[2.5]octane?
The InChIKey is VYIQERCSPCNOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-6-4-2-3-5-7(6)8-9-7/h6H,2-5H2,1H3.
What are the key properties of 4-methyl-1,2-dioxaspiro[2.5]octane?
4-methyl-1,2-dioxaspiro[2.5]octane has a molecular weight of 128.17 g/mol, XLogP of 1.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,2-dioxaspiro[2.5]octane is sourced from PubChem (CID 15728156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).