1,2-diethyl-2-methyl-4,7-dioxaspiro[2.4]heptane

C10H18O2 — CID 134986446

IUPAC1,2-diethyl-2-methyl-4,7-dioxaspiro[2.4]heptane
SMILESCCC1C(C)(CC)C12OCCO2
InChIInChI=1S/C10H18O2/c1-4-8-9(3,5-2)10(8)11-6-7-12-10/h8H,4-7H2,1-3H3
InChIKeyPAEWPFSFSZCIHI-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.19
Rot. Bonds2

About 1,2-diethyl-2-methyl-4,7-dioxaspiro[2.4]heptane

1,2-diethyl-2-methyl-4,7-dioxaspiro[2.4]heptane (PubChem CID 134986446) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 1,2-diethyl-2-methyl-4,7-dioxaspiro[2.4]heptane.

Molecular Properties

Compound Name1,2-diethyl-2-methyl-4,7-dioxaspiro[2.4]heptane
PubChem CID134986446
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name1,2-diethyl-2-methyl-4,7-dioxaspiro[2.4]heptane
SMILESCCC1C(C)(CC)C12OCCO2
InChIInChI=1S/C10H18O2/c1-4-8-9(3,5-2)10(8)11-6-7-12-10/h8H,4-7H2,1-3H3
InChIKeyPAEWPFSFSZCIHI-UHFFFAOYSA-N
XLogP2.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-diethyl-2-methyl-4,7-dioxaspiro[2.4]heptane?
The IUPAC name of 1,2-diethyl-2-methyl-4,7-dioxaspiro[2.4]heptane (CID 134986446) is 1,2-diethyl-2-methyl-4,7-dioxaspiro[2.4]heptane.
What is the SMILES notation for 1,2-diethyl-2-methyl-4,7-dioxaspiro[2.4]heptane?
The canonical SMILES for 1,2-diethyl-2-methyl-4,7-dioxaspiro[2.4]heptane is CCC1C(C)(CC)C12OCCO2.
What is the InChIKey of 1,2-diethyl-2-methyl-4,7-dioxaspiro[2.4]heptane?
The InChIKey is PAEWPFSFSZCIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-4-8-9(3,5-2)10(8)11-6-7-12-10/h8H,4-7H2,1-3H3.
What are the key properties of 1,2-diethyl-2-methyl-4,7-dioxaspiro[2.4]heptane?
1,2-diethyl-2-methyl-4,7-dioxaspiro[2.4]heptane has a molecular weight of 170.25 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethyl-2-methyl-4,7-dioxaspiro[2.4]heptane is sourced from PubChem (CID 134986446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).