2-methoxy-2-methyl-6-propan-2-yl-1,7,10-trioxaspiro[4.5]dec-3-ene

C12H20O4 — CID 162408661

IUPAC2-methoxy-2-methyl-6-propan-2-yl-1,7,10-trioxaspiro[4.5]dec-3-ene
SMILESCOC1(C)C=CC2(OCCOC2C(C)C)O1
InChIInChI=1S/C12H20O4/c1-9(2)10-12(15-8-7-14-10)6-5-11(3,13-4)16-12/h5-6,9-10H,7-8H2,1-4H3
InChIKeyZBZFJVDYDSLOFQ-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.70
Rot. Bonds2

About 2-methoxy-2-methyl-6-propan-2-yl-1,7,10-trioxaspiro[4.5]dec-3-ene

2-methoxy-2-methyl-6-propan-2-yl-1,7,10-trioxaspiro[4.5]dec-3-ene (PubChem CID 162408661) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-methoxy-2-methyl-6-propan-2-yl-1,7,10-trioxaspiro[4.5]dec-3-ene.

Molecular Properties

Compound Name2-methoxy-2-methyl-6-propan-2-yl-1,7,10-trioxaspiro[4.5]dec-3-ene
PubChem CID162408661
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name2-methoxy-2-methyl-6-propan-2-yl-1,7,10-trioxaspiro[4.5]dec-3-ene
SMILESCOC1(C)C=CC2(OCCOC2C(C)C)O1
InChIInChI=1S/C12H20O4/c1-9(2)10-12(15-8-7-14-10)6-5-11(3,13-4)16-12/h5-6,9-10H,7-8H2,1-4H3
InChIKeyZBZFJVDYDSLOFQ-UHFFFAOYSA-N
XLogP1.70
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_misc_A(5)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyl-6-propan-2-yl-1,7,10-trioxaspiro[4.5]dec-3-ene?
The IUPAC name of 2-methoxy-2-methyl-6-propan-2-yl-1,7,10-trioxaspiro[4.5]dec-3-ene (CID 162408661) is 2-methoxy-2-methyl-6-propan-2-yl-1,7,10-trioxaspiro[4.5]dec-3-ene.
What is the SMILES notation for 2-methoxy-2-methyl-6-propan-2-yl-1,7,10-trioxaspiro[4.5]dec-3-ene?
The canonical SMILES for 2-methoxy-2-methyl-6-propan-2-yl-1,7,10-trioxaspiro[4.5]dec-3-ene is COC1(C)C=CC2(OCCOC2C(C)C)O1.
What is the InChIKey of 2-methoxy-2-methyl-6-propan-2-yl-1,7,10-trioxaspiro[4.5]dec-3-ene?
The InChIKey is ZBZFJVDYDSLOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O4/c1-9(2)10-12(15-8-7-14-10)6-5-11(3,13-4)16-12/h5-6,9-10H,7-8H2,1-4H3.
What are the key properties of 2-methoxy-2-methyl-6-propan-2-yl-1,7,10-trioxaspiro[4.5]dec-3-ene?
2-methoxy-2-methyl-6-propan-2-yl-1,7,10-trioxaspiro[4.5]dec-3-ene has a molecular weight of 228.29 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyl-6-propan-2-yl-1,7,10-trioxaspiro[4.5]dec-3-ene is sourced from PubChem (CID 162408661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).