2-methyl-4,7-dioxaspiro[2.4]heptane

C6H10O2 — CID 67328408

IUPAC2-methyl-4,7-dioxaspiro[2.4]heptane
SMILESCC1CC12OCCO2
InChIInChI=1S/C6H10O2/c1-5-4-6(5)7-2-3-8-6/h5H,2-4H2,1H3
InChIKeyKGOMQBJVHGLIAV-UHFFFAOYSA-N
MW114.14 g/mol
LogP0.77
Rot. Bonds

About 2-methyl-4,7-dioxaspiro[2.4]heptane

2-methyl-4,7-dioxaspiro[2.4]heptane (PubChem CID 67328408) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 2-methyl-4,7-dioxaspiro[2.4]heptane.

Molecular Properties

Compound Name2-methyl-4,7-dioxaspiro[2.4]heptane
PubChem CID67328408
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name2-methyl-4,7-dioxaspiro[2.4]heptane
SMILESCC1CC12OCCO2
InChIInChI=1S/C6H10O2/c1-5-4-6(5)7-2-3-8-6/h5H,2-4H2,1H3
InChIKeyKGOMQBJVHGLIAV-UHFFFAOYSA-N
XLogP0.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-2-isopropyl-1,3-dioxolane
CID 20434
2-Methoxy-2-(1-methylethyl)-1,3-dioxolane
CID 48045
2-Cyclopropyl-1,3-dioxolane
CID 12794286
2-Cyclopropyl-2-methyl-1,3-dioxolane
CID 17910774
4,7-Dioxaspiro[2.4]heptane
CID 21942990
2-Ethyl-4,7-dioxaspiro[2.4]heptane
CID 131851586
2-Cyclopropyl-2,4-dimethyl-1,3-dioxolane
CID 229694
2,2-Dimethyl-4,7-dioxaspiro[2.4]heptane
CID 131851587
2-Cyclopropyl-2,4,5-trimethyl-1,3-dioxolane
CID 229695
4-Cyclopropyl-2,2-dimethyl-1,3-dioxolane
CID 21034200
1,2-Dimethyl-4,7-dioxaspiro[2.4]heptane
CID 58529547
2-Ethyl-2-(methoxymethyl)-1,3-dioxolane
CID 58922192

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,7-dioxaspiro[2.4]heptane?
The IUPAC name of 2-methyl-4,7-dioxaspiro[2.4]heptane (CID 67328408) is 2-methyl-4,7-dioxaspiro[2.4]heptane.
What is the SMILES notation for 2-methyl-4,7-dioxaspiro[2.4]heptane?
The canonical SMILES for 2-methyl-4,7-dioxaspiro[2.4]heptane is CC1CC12OCCO2.
What is the InChIKey of 2-methyl-4,7-dioxaspiro[2.4]heptane?
The InChIKey is KGOMQBJVHGLIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-5-4-6(5)7-2-3-8-6/h5H,2-4H2,1H3.
What are the key properties of 2-methyl-4,7-dioxaspiro[2.4]heptane?
2-methyl-4,7-dioxaspiro[2.4]heptane has a molecular weight of 114.14 g/mol, XLogP of 0.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,7-dioxaspiro[2.4]heptane is sourced from PubChem (CID 67328408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).