8,8-dimethyl-3-(2-methylprop-1-enyl)-7,9-dioxaspiro[4.5]dec-2-ene

C14H22O2 — CID 101265252

IUPAC8,8-dimethyl-3-(2-methylprop-1-enyl)-7,9-dioxaspiro[4.5]dec-2-ene
SMILESCC(C)=CC1=CCC2(COC(C)(C)OC2)C1
InChIInChI=1S/C14H22O2/c1-11(2)7-12-5-6-14(8-12)9-15-13(3,4)16-10-14/h5,7H,6,8-10H2,1-4H3
InChIKeyQFWXEAKBGSIBRN-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.44
Rot. Bonds1

About 8,8-dimethyl-3-(2-methylprop-1-enyl)-7,9-dioxaspiro[4.5]dec-2-ene

8,8-dimethyl-3-(2-methylprop-1-enyl)-7,9-dioxaspiro[4.5]dec-2-ene (PubChem CID 101265252) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 8,8-dimethyl-3-(2-methylprop-1-enyl)-7,9-dioxaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name8,8-dimethyl-3-(2-methylprop-1-enyl)-7,9-dioxaspiro[4.5]dec-2-ene
PubChem CID101265252
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name8,8-dimethyl-3-(2-methylprop-1-enyl)-7,9-dioxaspiro[4.5]dec-2-ene
SMILESCC(C)=CC1=CCC2(COC(C)(C)OC2)C1
InChIInChI=1S/C14H22O2/c1-11(2)7-12-5-6-14(8-12)9-15-13(3,4)16-10-14/h5,7H,6,8-10H2,1-4H3
InChIKeyQFWXEAKBGSIBRN-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-[(E)-3-ethyl-2-methylpent-3-en-2-yl]-2,2-dimethyl-1,3-dioxane
CID 11746336
3,3-Dimethyl-2,4-dioxaspiro[5.5]undec-9-ene
CID 20307661
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
5-Allyl-2,2-dimethyl-5-(3-methylbut-2-en-1-yl)-1,3-dioxane
CID 101415255
(8'aR)-5,5,8'a-trimethyl-3'-propan-2-ylspiro[1,3-dioxane-2,7'-1,5,6,8-tetrahydroazulene]
CID 135067358
8,8-Dimethyl-7,9-dioxaspiro[4.5]dec-2-ene
CID 71359301
2-(3,5-Dimethylcyclohex-3-en-1-yl)-2,5-dimethyl-5-propyl-1,3-dioxane
CID 19803370
3,3,11-Trimethyl-2,4-dioxaspiro[5.5]undec-8-ene
CID 20307640
6,15-Dioxadispiro[4.2.58.25]pentadec-11-ene
CID 20307641
3-Ethyl-3-methyl-2,4-dioxaspiro[5.5]undec-9-ene
CID 20307653
10-Methyl-2,4-dioxaspiro[5.5]undec-9-ene
CID 20307655

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-3-(2-methylprop-1-enyl)-7,9-dioxaspiro[4.5]dec-2-ene?
The IUPAC name of 8,8-dimethyl-3-(2-methylprop-1-enyl)-7,9-dioxaspiro[4.5]dec-2-ene (CID 101265252) is 8,8-dimethyl-3-(2-methylprop-1-enyl)-7,9-dioxaspiro[4.5]dec-2-ene.
What is the SMILES notation for 8,8-dimethyl-3-(2-methylprop-1-enyl)-7,9-dioxaspiro[4.5]dec-2-ene?
The canonical SMILES for 8,8-dimethyl-3-(2-methylprop-1-enyl)-7,9-dioxaspiro[4.5]dec-2-ene is CC(C)=CC1=CCC2(COC(C)(C)OC2)C1.
What is the InChIKey of 8,8-dimethyl-3-(2-methylprop-1-enyl)-7,9-dioxaspiro[4.5]dec-2-ene?
The InChIKey is QFWXEAKBGSIBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-11(2)7-12-5-6-14(8-12)9-15-13(3,4)16-10-14/h5,7H,6,8-10H2,1-4H3.
What are the key properties of 8,8-dimethyl-3-(2-methylprop-1-enyl)-7,9-dioxaspiro[4.5]dec-2-ene?
8,8-dimethyl-3-(2-methylprop-1-enyl)-7,9-dioxaspiro[4.5]dec-2-ene has a molecular weight of 222.33 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-3-(2-methylprop-1-enyl)-7,9-dioxaspiro[4.5]dec-2-ene is sourced from PubChem (CID 101265252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).