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

C7H12O2 — CID 131851586

IUPAC2-ethyl-4,7-dioxaspiro[2.4]heptane
SMILESCCC1CC12OCCO2
InChIInChI=1S/C7H12O2/c1-2-6-5-7(6)8-3-4-9-7/h6H,2-5H2,1H3
InChIKeySFORQPKOKOZQFK-UHFFFAOYSA-N
MW128.17 g/mol
LogP1.16
Rot. Bonds1

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

2-ethyl-4,7-dioxaspiro[2.4]heptane (PubChem CID 131851586) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 2-ethyl-4,7-dioxaspiro[2.4]heptane.

Molecular Properties

Compound Name2-ethyl-4,7-dioxaspiro[2.4]heptane
PubChem CID131851586
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name2-ethyl-4,7-dioxaspiro[2.4]heptane
SMILESCCC1CC12OCCO2
InChIInChI=1S/C7H12O2/c1-2-6-5-7(6)8-3-4-9-7/h6H,2-5H2,1H3
InChIKeySFORQPKOKOZQFK-UHFFFAOYSA-N
XLogP1.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-2-isopropyl-1,3-dioxolane
CID 20434
2-Cyclopropyl-2-methyl-1,3-dioxolane
CID 17910774
2-Methyl-4,7-dioxaspiro[2.4]heptane
CID 67328408
2-Cyclopropyl-2,4-dimethyl-1,3-dioxolane
CID 229694
1,2-Diethyl-4,7-dioxaspiro[2.4]heptane
CID 71437519
2,2-Dimethyl-4,7-dioxaspiro[2.4]heptane
CID 131851587
2-Propyl-4,7-dioxaspiro[2.4]heptane
CID 134922933
2-Ethyl-2-methyl-4,7-dioxaspiro[2.4]heptane
CID 134986496
2-Ethyl-1-methyl-4,7-dioxaspiro[2.4]heptane
CID 134986808
2-Cyclopropyl-2,4,5-trimethyl-1,3-dioxolane
CID 229695
2-(2-Cyclopropylethyl)-2-methyl-1,3-dioxolane
CID 13789861
4-Cyclopropyl-2,2-dimethyl-1,3-dioxolane
CID 21034200

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4,7-dioxaspiro[2.4]heptane?
The IUPAC name of 2-ethyl-4,7-dioxaspiro[2.4]heptane (CID 131851586) is 2-ethyl-4,7-dioxaspiro[2.4]heptane.
What is the SMILES notation for 2-ethyl-4,7-dioxaspiro[2.4]heptane?
The canonical SMILES for 2-ethyl-4,7-dioxaspiro[2.4]heptane is CCC1CC12OCCO2.
What is the InChIKey of 2-ethyl-4,7-dioxaspiro[2.4]heptane?
The InChIKey is SFORQPKOKOZQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-2-6-5-7(6)8-3-4-9-7/h6H,2-5H2,1H3.
What are the key properties of 2-ethyl-4,7-dioxaspiro[2.4]heptane?
2-ethyl-4,7-dioxaspiro[2.4]heptane has a molecular weight of 128.17 g/mol, XLogP of 1.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4,7-dioxaspiro[2.4]heptane is sourced from PubChem (CID 131851586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).