8,8-dimethyl-4-methylidene-2-(2-methylprop-1-enyl)-1,6,10-trioxaspiro[4.5]decane

C14H22O3 — CID 14738892

IUPAC8,8-dimethyl-4-methylidene-2-(2-methylprop-1-enyl)-1,6,10-trioxaspiro[4.5]decane
SMILESC=C1CC(C=C(C)C)OC12OCC(C)(C)CO2
InChIInChI=1S/C14H22O3/c1-10(2)6-12-7-11(3)14(17-12)15-8-13(4,5)9-16-14/h6,12H,3,7-9H2,1-2,4-5H3
InChIKeyHHLPTUIRDRUORK-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.02
Rot. Bonds1

About 8,8-dimethyl-4-methylidene-2-(2-methylprop-1-enyl)-1,6,10-trioxaspiro[4.5]decane

8,8-dimethyl-4-methylidene-2-(2-methylprop-1-enyl)-1,6,10-trioxaspiro[4.5]decane (PubChem CID 14738892) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 8,8-dimethyl-4-methylidene-2-(2-methylprop-1-enyl)-1,6,10-trioxaspiro[4.5]decane.

Molecular Properties

Compound Name8,8-dimethyl-4-methylidene-2-(2-methylprop-1-enyl)-1,6,10-trioxaspiro[4.5]decane
PubChem CID14738892
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name8,8-dimethyl-4-methylidene-2-(2-methylprop-1-enyl)-1,6,10-trioxaspiro[4.5]decane
SMILESC=C1CC(C=C(C)C)OC12OCC(C)(C)CO2
InChIInChI=1S/C14H22O3/c1-10(2)6-12-7-11(3)14(17-12)15-8-13(4,5)9-16-14/h6,12H,3,7-9H2,1-2,4-5H3
InChIKeyHHLPTUIRDRUORK-UHFFFAOYSA-N
XLogP3.02
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-Dioxane, 2-(2,6-dimethyl-1,5-heptadien-1-yl)-4-methyl-
CID 5356478
5,5-Dimethyl-2-[5-(2-methylprop-1-enyl)oxolan-3-ylidene]-1,3-dioxane
CID 14738893
(5R,7R)-2-ethyl-5,7-dimethyl-4,8-dioxaspiro[2.5]oct-1-ene
CID 14788910
1,3,8-Trimethyl-2,9-dioxabicyclo[3.3.1] non-7-ene
CID 72833031
(5R)-7,7,9-trimethyl-1,6-dioxaspiro[4.5]dec-9-ene
CID 101805737
1,3-Diethyl-8-methyl-2,9-dioxabicyclo[3.3.1]non-7-ene
CID 129776261
(2S,6R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyl-6-prop-2-enyl-3,6-dihydro-2H-pyran
CID 134967156
2-(2,6-Dimethylhepta-1,5-dienyl)-4-methyl-1,3-dioxane
CID 93622
(E)-2-(2,6-dimethylhepta-1,5-dien-1-yl)-4-methyl-1,3-dioxane
CID 5806292
(1R,3S,5S)-1,3,8-trimethyl-2,9-dioxabicyclo[3.3.1]non-7-ene
CID 11400999
1-Ethyl-6,6-dimethyl-4,8-dioxaspiro[2.5]oct-1-ene
CID 15933005
(4S,5S)-2,2-dimethyl-4-(2-methylprop-1-enyl)-5-[(2R)-oxiran-2-yl]-1,3-dioxolane
CID 11790160

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-4-methylidene-2-(2-methylprop-1-enyl)-1,6,10-trioxaspiro[4.5]decane?
The IUPAC name of 8,8-dimethyl-4-methylidene-2-(2-methylprop-1-enyl)-1,6,10-trioxaspiro[4.5]decane (CID 14738892) is 8,8-dimethyl-4-methylidene-2-(2-methylprop-1-enyl)-1,6,10-trioxaspiro[4.5]decane.
What is the SMILES notation for 8,8-dimethyl-4-methylidene-2-(2-methylprop-1-enyl)-1,6,10-trioxaspiro[4.5]decane?
The canonical SMILES for 8,8-dimethyl-4-methylidene-2-(2-methylprop-1-enyl)-1,6,10-trioxaspiro[4.5]decane is C=C1CC(C=C(C)C)OC12OCC(C)(C)CO2.
What is the InChIKey of 8,8-dimethyl-4-methylidene-2-(2-methylprop-1-enyl)-1,6,10-trioxaspiro[4.5]decane?
The InChIKey is HHLPTUIRDRUORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-10(2)6-12-7-11(3)14(17-12)15-8-13(4,5)9-16-14/h6,12H,3,7-9H2,1-2,4-5H3.
What are the key properties of 8,8-dimethyl-4-methylidene-2-(2-methylprop-1-enyl)-1,6,10-trioxaspiro[4.5]decane?
8,8-dimethyl-4-methylidene-2-(2-methylprop-1-enyl)-1,6,10-trioxaspiro[4.5]decane has a molecular weight of 238.33 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-4-methylidene-2-(2-methylprop-1-enyl)-1,6,10-trioxaspiro[4.5]decane is sourced from PubChem (CID 14738892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).