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

C11H18O4 — CID 162409601

IUPAC2-methoxy-6-propan-2-yl-1,7,10-trioxaspiro[4.5]dec-3-ene
SMILESCOC1C=CC2(OCCOC2C(C)C)O1
InChIInChI=1S/C11H18O4/c1-8(2)10-11(14-7-6-13-10)5-4-9(12-3)15-11/h4-5,8-10H,6-7H2,1-3H3
InChIKeyNRGGETZXNCIZMB-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.31
Rot. Bonds2

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

2-methoxy-6-propan-2-yl-1,7,10-trioxaspiro[4.5]dec-3-ene (PubChem CID 162409601) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-methoxy-6-propan-2-yl-1,7,10-trioxaspiro[4.5]dec-3-ene.

Molecular Properties

Compound Name2-methoxy-6-propan-2-yl-1,7,10-trioxaspiro[4.5]dec-3-ene
PubChem CID162409601
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name2-methoxy-6-propan-2-yl-1,7,10-trioxaspiro[4.5]dec-3-ene
SMILESCOC1C=CC2(OCCOC2C(C)C)O1
InChIInChI=1S/C11H18O4/c1-8(2)10-11(14-7-6-13-10)5-4-9(12-3)15-11/h4-5,8-10H,6-7H2,1-3H3
InChIKeyNRGGETZXNCIZMB-UHFFFAOYSA-N
XLogP1.31
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.31
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-6-propan-2-yl-1,7,10-trioxaspiro[4.5]dec-3-ene?
The IUPAC name of 2-methoxy-6-propan-2-yl-1,7,10-trioxaspiro[4.5]dec-3-ene (CID 162409601) is 2-methoxy-6-propan-2-yl-1,7,10-trioxaspiro[4.5]dec-3-ene.
What is the SMILES notation for 2-methoxy-6-propan-2-yl-1,7,10-trioxaspiro[4.5]dec-3-ene?
The canonical SMILES for 2-methoxy-6-propan-2-yl-1,7,10-trioxaspiro[4.5]dec-3-ene is COC1C=CC2(OCCOC2C(C)C)O1.
What is the InChIKey of 2-methoxy-6-propan-2-yl-1,7,10-trioxaspiro[4.5]dec-3-ene?
The InChIKey is NRGGETZXNCIZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-8(2)10-11(14-7-6-13-10)5-4-9(12-3)15-11/h4-5,8-10H,6-7H2,1-3H3.
What are the key properties of 2-methoxy-6-propan-2-yl-1,7,10-trioxaspiro[4.5]dec-3-ene?
2-methoxy-6-propan-2-yl-1,7,10-trioxaspiro[4.5]dec-3-ene has a molecular weight of 214.26 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-propan-2-yl-1,7,10-trioxaspiro[4.5]dec-3-ene is sourced from PubChem (CID 162409601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).