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

C9H16O2 — CID 71437519

IUPAC1,2-diethyl-4,7-dioxaspiro[2.4]heptane
SMILESCCC1C(CC)C12OCCO2
InChIInChI=1S/C9H16O2/c1-3-7-8(4-2)9(7)10-5-6-11-9/h7-8H,3-6H2,1-2H3
InChIKeyLTKVPLCTXBVHCC-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.80
Rot. Bonds2

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

1,2-diethyl-4,7-dioxaspiro[2.4]heptane (PubChem CID 71437519) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 1,2-diethyl-4,7-dioxaspiro[2.4]heptane.

Molecular Properties

Compound Name1,2-diethyl-4,7-dioxaspiro[2.4]heptane
PubChem CID71437519
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name1,2-diethyl-4,7-dioxaspiro[2.4]heptane
SMILESCCC1C(CC)C12OCCO2
InChIInChI=1S/C9H16O2/c1-3-7-8(4-2)9(7)10-5-6-11-9/h7-8H,3-6H2,1-2H3
InChIKeyLTKVPLCTXBVHCC-UHFFFAOYSA-N
XLogP1.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-Dioxolane, 2-methyl-2-(2-methylpropyl)-
CID 559995
1,3-Dioxolane, 2-(1-ethylpentyl)-
CID 107271
2-(Heptan-3-yl)-4-methyl-1,3-dioxolane
CID 3737523
8-Methyl-1,4-dioxaspiro[4.5]decane
CID 10953772
2-Ethyl-2-isobutyl-1,3-dioxolane
CID 13634
8-Ethyl-1,4-dioxaspiro[4.4]nonane
CID 21340990
2-Ethyl-4,7-dioxaspiro[2.4]heptane
CID 131851586
(4S)-4-[(1S,3R)-3-ethyl-2,2-difluorocyclopropyl]-2,2-dimethyl-1,3-dioxolane
CID 59958788
(4S)-4-[(1R,3R)-3-ethyl-2,2-difluorocyclopropyl]-2,2-dimethyl-1,3-dioxolane
CID 59958789
(4S)-4-[(1S,3S)-3-ethyl-2,2-difluorocyclopropyl]-2,2-dimethyl-1,3-dioxolane
CID 59958791
(4S)-4-[(1R,3S)-3-ethyl-2,2-difluorocyclopropyl]-2,2-dimethyl-1,3-dioxolane
CID 59958795
1,3-Dioxolane, 2-isopentyl-2-methyl-
CID 560047

Frequently Asked Questions

What is the IUPAC name of 1,2-diethyl-4,7-dioxaspiro[2.4]heptane?
The IUPAC name of 1,2-diethyl-4,7-dioxaspiro[2.4]heptane (CID 71437519) is 1,2-diethyl-4,7-dioxaspiro[2.4]heptane.
What is the SMILES notation for 1,2-diethyl-4,7-dioxaspiro[2.4]heptane?
The canonical SMILES for 1,2-diethyl-4,7-dioxaspiro[2.4]heptane is CCC1C(CC)C12OCCO2.
What is the InChIKey of 1,2-diethyl-4,7-dioxaspiro[2.4]heptane?
The InChIKey is LTKVPLCTXBVHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-7-8(4-2)9(7)10-5-6-11-9/h7-8H,3-6H2,1-2H3.
What are the key properties of 1,2-diethyl-4,7-dioxaspiro[2.4]heptane?
1,2-diethyl-4,7-dioxaspiro[2.4]heptane has a molecular weight of 156.22 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethyl-4,7-dioxaspiro[2.4]heptane is sourced from PubChem (CID 71437519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).