2-ethyl-3-methylidene-1,4-dioxaspiro[4.4]nonane

C10H16O2 — CID 176555233

IUPAC2-ethyl-3-methylidene-1,4-dioxaspiro[4.4]nonane
SMILESC=C1OC2(CCCC2)OC1CC
InChIInChI=1S/C10H16O2/c1-3-9-8(2)11-10(12-9)6-4-5-7-10/h9H,2-7H2,1H3
InChIKeySZXKSSWULMMFBY-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.60
Rot. Bonds1

About 2-ethyl-3-methylidene-1,4-dioxaspiro[4.4]nonane

2-ethyl-3-methylidene-1,4-dioxaspiro[4.4]nonane (PubChem CID 176555233) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-ethyl-3-methylidene-1,4-dioxaspiro[4.4]nonane.

Molecular Properties

Compound Name2-ethyl-3-methylidene-1,4-dioxaspiro[4.4]nonane
PubChem CID176555233
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2-ethyl-3-methylidene-1,4-dioxaspiro[4.4]nonane
SMILESC=C1OC2(CCCC2)OC1CC
InChIInChI=1S/C10H16O2/c1-3-9-8(2)11-10(12-9)6-4-5-7-10/h9H,2-7H2,1H3
InChIKeySZXKSSWULMMFBY-UHFFFAOYSA-N
XLogP2.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-ethyl-1,4-dioxaspiro[4.5]decan-3-one
CID 7559497
3-ethyl-1,4-dioxaspiro[4.4]nonane
CID 20802298
(3S)-3-ethyl-1,4-dioxaspiro[4.5]decane
CID 129156956
2-dimethoxyphosphoryl-1-(9-methylidene-6,10-dioxaspiro[4.5]decan-7-yl)ethanone
CID 134474644
3-ethyl-1,2,4-trioxaspiro[4.5]decane
CID 15040523
2-ethyl-3-methyl-1,4-dioxaspiro[4.4]nonane-3-carbaldehyde
CID 14635962
(2S,6R,8S)-2-ethyl-8-methyl-1,7-dioxaspiro[5.5]undecane
CID 10888892
2-[(4-fluorophenyl)methyl]-1,4-dioxaspiro[4.4]nonan-3-one
CID 117060691
3,3-dimethyl-2-methylidene-1,4-dioxaspiro[4.5]decane
CID 13205523
(2R,5R,7R)-7-ethyl-2-methyl-1,6-dioxaspiro[4.5]decane
CID 13364433
(4aR,6aS,7R,10bR)-7-ethyl-6a,10b-dimethyl-8-methylidenespiro[1,4a,5,6,7,9,10,10a-octahydronaphtho[2,1-d][1,3]dioxine-3,1'-cyclopentane]
CID 129182321
(2R,6S,8S)-2-ethyl-8-methyl-1,7-dioxaspiro[5.5]undecan-4-one
CID 11820501

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methylidene-1,4-dioxaspiro[4.4]nonane?
The IUPAC name of 2-ethyl-3-methylidene-1,4-dioxaspiro[4.4]nonane (CID 176555233) is 2-ethyl-3-methylidene-1,4-dioxaspiro[4.4]nonane.
What is the SMILES notation for 2-ethyl-3-methylidene-1,4-dioxaspiro[4.4]nonane?
The canonical SMILES for 2-ethyl-3-methylidene-1,4-dioxaspiro[4.4]nonane is C=C1OC2(CCCC2)OC1CC.
What is the InChIKey of 2-ethyl-3-methylidene-1,4-dioxaspiro[4.4]nonane?
The InChIKey is SZXKSSWULMMFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-9-8(2)11-10(12-9)6-4-5-7-10/h9H,2-7H2,1H3.
What are the key properties of 2-ethyl-3-methylidene-1,4-dioxaspiro[4.4]nonane?
2-ethyl-3-methylidene-1,4-dioxaspiro[4.4]nonane has a molecular weight of 168.24 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methylidene-1,4-dioxaspiro[4.4]nonane is sourced from PubChem (CID 176555233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).