(3Z)-2,8,8-trimethyl-3-prop-2-enylidene-7,9-dioxaspiro[4.5]decane

C14H22O2 — CID 11299011

IUPAC(3Z)-2,8,8-trimethyl-3-prop-2-enylidene-7,9-dioxaspiro[4.5]decane
SMILESC=C/C=C1/CC2(COC(C)(C)OC2)CC1C
InChIInChI=1S/C14H22O2/c1-5-6-12-8-14(7-11(12)2)9-15-13(3,4)16-10-14/h5-6,11H,1,7-10H2,2-4H3/b12-6-
InChIKeyPQTWBVFXGQKUPO-SDQBBNPISA-N
MW222.33 g/mol
LogP3.30
Rot. Bonds1

About (3Z)-2,8,8-trimethyl-3-prop-2-enylidene-7,9-dioxaspiro[4.5]decane

(3Z)-2,8,8-trimethyl-3-prop-2-enylidene-7,9-dioxaspiro[4.5]decane (PubChem CID 11299011) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is (3Z)-2,8,8-trimethyl-3-prop-2-enylidene-7,9-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name(3Z)-2,8,8-trimethyl-3-prop-2-enylidene-7,9-dioxaspiro[4.5]decane
PubChem CID11299011
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name(3Z)-2,8,8-trimethyl-3-prop-2-enylidene-7,9-dioxaspiro[4.5]decane
SMILESC=C/C=C1/CC2(COC(C)(C)OC2)CC1C
InChIInChI=1S/C14H22O2/c1-5-6-12-8-14(7-11(12)2)9-15-13(3,4)16-10-14/h5-6,11H,1,7-10H2,2-4H3/b12-6-
InChIKeyPQTWBVFXGQKUPO-SDQBBNPISA-N
XLogP3.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,8,8-Trimethyl-3-methylidene-7,9-dioxaspiro[4.5]decane
CID 11816428
10-tert-butyl-3,3-dimethyl-8-methylidene-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undec-9-ene
CID 11066209
CID 11069704
CID 11069704
2-(3-Cyclopenta-1,3-dien-1-yl-3-methylbutyl)-1,3-dioxane
CID 89642658
[(1E)-buta-1,3-dienyl]cyclopentane;2,2,5,5-tetramethyl-1,3-dioxane
CID 144118251
2-[3-Methyl-3-(5-methylidenecyclopenta-1,3-dien-1-yl)butyl]-1,3-dioxane
CID 144304736
(2R,3S)-3-ethenyl-2,8,8-trimethyl-7,9-dioxaspiro[4.5]decane
CID 11052920
8-tert-butyl-3,3,10-trimethyl-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undeca-8,10-diene
CID 11069705
3-Ethenyl-8,8-dimethyl-7,9-dioxaspiro[4.5]dec-2-ene
CID 11333029
8,8-Dimethyl-3-(2-methylprop-1-enyl)-7,9-dioxaspiro[4.5]dec-2-ene
CID 101265252
3,3-Dimethyl-8-methylidene-2,4-dioxaspiro[5.6]dodec-9-ene
CID 101481053
3,3-Dimethyl-10-methylidene-2,4-dioxaspiro[5.5]undec-8-ene
CID 101746187

Frequently Asked Questions

What is the IUPAC name of (3Z)-2,8,8-trimethyl-3-prop-2-enylidene-7,9-dioxaspiro[4.5]decane?
The IUPAC name of (3Z)-2,8,8-trimethyl-3-prop-2-enylidene-7,9-dioxaspiro[4.5]decane (CID 11299011) is (3Z)-2,8,8-trimethyl-3-prop-2-enylidene-7,9-dioxaspiro[4.5]decane.
What is the SMILES notation for (3Z)-2,8,8-trimethyl-3-prop-2-enylidene-7,9-dioxaspiro[4.5]decane?
The canonical SMILES for (3Z)-2,8,8-trimethyl-3-prop-2-enylidene-7,9-dioxaspiro[4.5]decane is C=C/C=C1/CC2(COC(C)(C)OC2)CC1C.
What is the InChIKey of (3Z)-2,8,8-trimethyl-3-prop-2-enylidene-7,9-dioxaspiro[4.5]decane?
The InChIKey is PQTWBVFXGQKUPO-SDQBBNPISA-N. The full InChI is InChI=1S/C14H22O2/c1-5-6-12-8-14(7-11(12)2)9-15-13(3,4)16-10-14/h5-6,11H,1,7-10H2,2-4H3/b12-6-.
What are the key properties of (3Z)-2,8,8-trimethyl-3-prop-2-enylidene-7,9-dioxaspiro[4.5]decane?
(3Z)-2,8,8-trimethyl-3-prop-2-enylidene-7,9-dioxaspiro[4.5]decane has a molecular weight of 222.33 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2,8,8-trimethyl-3-prop-2-enylidene-7,9-dioxaspiro[4.5]decane is sourced from PubChem (CID 11299011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).