9,11-dimethyl-3-propan-2-yl-2,4-dioxaspiro[5.5]undec-8-ene

C14H24O2 — CID 3540232

IUPAC9,11-dimethyl-3-propan-2-yl-2,4-dioxaspiro[5.5]undec-8-ene
SMILESCC1=CCC2(COC(C(C)C)OC2)C(C)C1
InChIInChI=1S/C14H24O2/c1-10(2)13-15-8-14(9-16-13)6-5-11(3)7-12(14)4/h5,10,12-13H,6-9H2,1-4H3
InChIKeyZBZWIPSRQJXTNJ-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.38
Rot. Bonds1

About 9,11-dimethyl-3-propan-2-yl-2,4-dioxaspiro[5.5]undec-8-ene

9,11-dimethyl-3-propan-2-yl-2,4-dioxaspiro[5.5]undec-8-ene (PubChem CID 3540232) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 9,11-dimethyl-3-propan-2-yl-2,4-dioxaspiro[5.5]undec-8-ene.

Molecular Properties

Compound Name9,11-dimethyl-3-propan-2-yl-2,4-dioxaspiro[5.5]undec-8-ene
PubChem CID3540232
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name9,11-dimethyl-3-propan-2-yl-2,4-dioxaspiro[5.5]undec-8-ene
SMILESCC1=CCC2(COC(C(C)C)OC2)C(C)C1
InChIInChI=1S/C14H24O2/c1-10(2)13-15-8-14(9-16-13)6-5-11(3)7-12(14)4/h5,10,12-13H,6-9H2,1-4H3
InChIKeyZBZWIPSRQJXTNJ-UHFFFAOYSA-N
XLogP3.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3,9,11-trimethyl-2,4-dioxaspiro[5.5]undec-8-ene
CID 3732384
(11R)-9,11-dimethyl-3-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undec-8-ene
CID 823581
(7R,11R)-7,9,11-trimethyl-3-propan-2-yl-2,4-dioxaspiro[5.5]undec-9-ene
CID 928245
(8R,11S)-8-methyl-3,11-di(propan-2-yl)-2,4-dioxaspiro[5.5]undecane
CID 168973924
4,7-dimethyl-1-propan-2-yl-2,3,4,5,8,8a-hexahydro-1H-naphthalen-4a-ol
CID 162899785
2-methyl-2-[(1R,6R)-1,4,6-trimethylcyclohex-3-en-1-yl]-1,3-dioxolane
CID 134979642
(2S)-2-[(1R,4S,5S)-1,8-dimethylspiro[4.5]dec-8-en-4-yl]-2-methyloxirane
CID 165415543
3,9-dimethyl-2,4-dioxaspiro[5.5]undec-9-ene
CID 5244370
5-methyl-5-[(2-methylphenyl)methoxy]-2-propan-2-yl-1,3-dioxane
CID 20536213
(4R,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4R,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;methane
CID 159750866
(5R)-1-methyl-5-propan-2-ylcyclohexene
CID 91700558
(5-carboxyoxy-2-propan-2-yl-1,3-dioxan-5-yl) hydrogen carbonate
CID 23199359

Frequently Asked Questions

What is the IUPAC name of 9,11-dimethyl-3-propan-2-yl-2,4-dioxaspiro[5.5]undec-8-ene?
The IUPAC name of 9,11-dimethyl-3-propan-2-yl-2,4-dioxaspiro[5.5]undec-8-ene (CID 3540232) is 9,11-dimethyl-3-propan-2-yl-2,4-dioxaspiro[5.5]undec-8-ene.
What is the SMILES notation for 9,11-dimethyl-3-propan-2-yl-2,4-dioxaspiro[5.5]undec-8-ene?
The canonical SMILES for 9,11-dimethyl-3-propan-2-yl-2,4-dioxaspiro[5.5]undec-8-ene is CC1=CCC2(COC(C(C)C)OC2)C(C)C1.
What is the InChIKey of 9,11-dimethyl-3-propan-2-yl-2,4-dioxaspiro[5.5]undec-8-ene?
The InChIKey is ZBZWIPSRQJXTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-10(2)13-15-8-14(9-16-13)6-5-11(3)7-12(14)4/h5,10,12-13H,6-9H2,1-4H3.
What are the key properties of 9,11-dimethyl-3-propan-2-yl-2,4-dioxaspiro[5.5]undec-8-ene?
9,11-dimethyl-3-propan-2-yl-2,4-dioxaspiro[5.5]undec-8-ene has a molecular weight of 224.34 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,11-dimethyl-3-propan-2-yl-2,4-dioxaspiro[5.5]undec-8-ene is sourced from PubChem (CID 3540232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).