9,9,12-trimethyl-8,10-dioxadispiro[4.0.56.45]pentadec-13-ene

C16H26O2 — CID 141221883

IUPAC9,9,12-trimethyl-8,10-dioxadispiro[4.0.56.45]pentadec-13-ene
SMILESCC1C=CCC2(CCCC2)C12COC(C)(C)OC2
InChIInChI=1S/C16H26O2/c1-13-7-6-10-15(8-4-5-9-15)16(13)11-17-14(2,3)18-12-16/h6-7,13H,4-5,8-12H2,1-3H3
InChIKeyXHJXHGSCYAMDBP-UHFFFAOYSA-N
MW250.38 g/mol
LogP3.91
Rot. Bonds

About 9,9,12-trimethyl-8,10-dioxadispiro[4.0.56.45]pentadec-13-ene

9,9,12-trimethyl-8,10-dioxadispiro[4.0.56.45]pentadec-13-ene (PubChem CID 141221883) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 9,9,12-trimethyl-8,10-dioxadispiro[4.0.56.45]pentadec-13-ene.

Molecular Properties

Compound Name9,9,12-trimethyl-8,10-dioxadispiro[4.0.56.45]pentadec-13-ene
PubChem CID141221883
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name9,9,12-trimethyl-8,10-dioxadispiro[4.0.56.45]pentadec-13-ene
SMILESCC1C=CCC2(CCCC2)C12COC(C)(C)OC2
InChIInChI=1S/C16H26O2/c1-13-7-6-10-15(8-4-5-9-15)16(13)11-17-14(2,3)18-12-16/h6-7,13H,4-5,8-12H2,1-3H3
InChIKeyXHJXHGSCYAMDBP-UHFFFAOYSA-N
XLogP3.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 53.91
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

1,3-Dioxane, 2-(2,4-dimethyl-3-cyclohexen-1-yl)-5-methyl-5-(1-methylpropyl)-
CID 16070752
(3'aS,6'aR)-5,5-dimethylspiro[1,3-dioxane-2,2'-3,3a,4,6a-tetrahydro-1H-pentalene]
CID 90682012
1,3-Dioxane, 2-[(1R,2R)-2,4-dimethyl-3-cyclohexen1-yl]-5-methyl-5-(1-methylpropyl)-, cis-
CID 165363669
1,3-Dioxane, 2-[(1S,2S)-2,4-dimethyl-3-cyclohexen1-yl]-5-methyl-5-(1-methylpropyl)-, cis-
CID 165363673
1,3-Dioxane, 2-[(1S,2R)-2,4-dimethyl-3-cyclohexen1-yl]-5-methyl-5-(1-methylpropyl)-, cis-
CID 165363674
1,3-Dioxane, 2-[(1R,2S)-2,4-dimethyl-3-cyclohexen1-yl]-5-methyl-5-(1-methylpropyl)-, cis-
CID 165363675
2'-(3-Cyclohexen-1-yl)spiro[bicyclo[2.2.1]hept-5-ene-2,5'-[1,3]dioxane]
CID 107116
7,9,11-Trimethyl-3-(2-methylpropyl)-2,4-dioxaspiro[5.5]undec-8-ene
CID 3772919
7,9,11-Trimethyl-3-pentyl-2,4-dioxaspiro[5.5]undec-8-ene
CID 3839279
(3'aR,4'S,6'aS)-4',5,5-trimethylspiro[1,3-dioxane-2,2'-3,3a,4,6a-tetrahydro-1H-pentalene]
CID 71606812
2-Methylspiro[1,3-dioxane-5,5'-bicyclo[2.2.1]hept-2-ene]
CID 134895236
10-tert-butyl-3,3-dimethyl-8-methylidene-9-[(E)-prop-1-enyl]-2,4-dioxaspiro[5.5]undec-9-ene
CID 11066209

Frequently Asked Questions

What is the IUPAC name of 9,9,12-trimethyl-8,10-dioxadispiro[4.0.56.45]pentadec-13-ene?
The IUPAC name of 9,9,12-trimethyl-8,10-dioxadispiro[4.0.56.45]pentadec-13-ene (CID 141221883) is 9,9,12-trimethyl-8,10-dioxadispiro[4.0.56.45]pentadec-13-ene.
What is the SMILES notation for 9,9,12-trimethyl-8,10-dioxadispiro[4.0.56.45]pentadec-13-ene?
The canonical SMILES for 9,9,12-trimethyl-8,10-dioxadispiro[4.0.56.45]pentadec-13-ene is CC1C=CCC2(CCCC2)C12COC(C)(C)OC2.
What is the InChIKey of 9,9,12-trimethyl-8,10-dioxadispiro[4.0.56.45]pentadec-13-ene?
The InChIKey is XHJXHGSCYAMDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-13-7-6-10-15(8-4-5-9-15)16(13)11-17-14(2,3)18-12-16/h6-7,13H,4-5,8-12H2,1-3H3.
What are the key properties of 9,9,12-trimethyl-8,10-dioxadispiro[4.0.56.45]pentadec-13-ene?
9,9,12-trimethyl-8,10-dioxadispiro[4.0.56.45]pentadec-13-ene has a molecular weight of 250.38 g/mol, XLogP of 3.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9,12-trimethyl-8,10-dioxadispiro[4.0.56.45]pentadec-13-ene is sourced from PubChem (CID 141221883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).