3-(prop-1-enoxymethyl)-1,5,7,11-tetraoxaspiro[5.5]undecane

C11H18O5 — CID 150161770

IUPAC3-(prop-1-enoxymethyl)-1,5,7,11-tetraoxaspiro[5.5]undecane
SMILESCC=COCC1COC2(OCCCO2)OC1
InChIInChI=1S/C11H18O5/c1-2-4-12-7-10-8-15-11(16-9-10)13-5-3-6-14-11/h2,4,10H,3,5-9H2,1H3
InChIKeyFHOYVAMPJPTQMS-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.25
Rot. Bonds3

About 3-(prop-1-enoxymethyl)-1,5,7,11-tetraoxaspiro[5.5]undecane

3-(prop-1-enoxymethyl)-1,5,7,11-tetraoxaspiro[5.5]undecane (PubChem CID 150161770) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is 3-(prop-1-enoxymethyl)-1,5,7,11-tetraoxaspiro[5.5]undecane.

Molecular Properties

Compound Name3-(prop-1-enoxymethyl)-1,5,7,11-tetraoxaspiro[5.5]undecane
PubChem CID150161770
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name3-(prop-1-enoxymethyl)-1,5,7,11-tetraoxaspiro[5.5]undecane
SMILESCC=COCC1COC2(OCCCO2)OC1
InChIInChI=1S/C11H18O5/c1-2-4-12-7-10-8-15-11(16-9-10)13-5-3-6-14-11/h2,4,10H,3,5-9H2,1H3
InChIKeyFHOYVAMPJPTQMS-UHFFFAOYSA-N
XLogP1.25
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3-[[(E)-prop-1-enoxy]methyl]oxane
CID 176603518
2-[[(E)-prop-1-enoxy]methyl]oxirane
CID 6436935
3-methyl-1,4,6,10-tetraoxaspiro[4.5]decane
CID 15588101
2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]oxocane
CID 176603091
2-(1,1,2,2,2-pentafluoroethyl)-3-(prop-1-enoxymethyl)oxetane
CID 150514793
1-[(Z)-prop-1-enoxy]-4-[(E)-prop-1-enoxy]butane
CID 131862355
1,10-bis(prop-1-enoxy)decane
CID 54271291
pent-1-enoxymethylcyclodecane
CID 173273161
2,2-dimethyl-5-(prop-2-enoxymethyl)-1,3-dioxane
CID 134255054
2-phenyl-2-(3-prop-1-enoxypropyl)oxirane
CID 151187186
2-[3-[(E)-prop-1-enoxy]propyl]thiolane
CID 176603325
3-(but-2-enoxymethyl)oxetane
CID 68770280

Frequently Asked Questions

What is the IUPAC name of 3-(prop-1-enoxymethyl)-1,5,7,11-tetraoxaspiro[5.5]undecane?
The IUPAC name of 3-(prop-1-enoxymethyl)-1,5,7,11-tetraoxaspiro[5.5]undecane (CID 150161770) is 3-(prop-1-enoxymethyl)-1,5,7,11-tetraoxaspiro[5.5]undecane.
What is the SMILES notation for 3-(prop-1-enoxymethyl)-1,5,7,11-tetraoxaspiro[5.5]undecane?
The canonical SMILES for 3-(prop-1-enoxymethyl)-1,5,7,11-tetraoxaspiro[5.5]undecane is CC=COCC1COC2(OCCCO2)OC1.
What is the InChIKey of 3-(prop-1-enoxymethyl)-1,5,7,11-tetraoxaspiro[5.5]undecane?
The InChIKey is FHOYVAMPJPTQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O5/c1-2-4-12-7-10-8-15-11(16-9-10)13-5-3-6-14-11/h2,4,10H,3,5-9H2,1H3.
What are the key properties of 3-(prop-1-enoxymethyl)-1,5,7,11-tetraoxaspiro[5.5]undecane?
3-(prop-1-enoxymethyl)-1,5,7,11-tetraoxaspiro[5.5]undecane has a molecular weight of 230.26 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(prop-1-enoxymethyl)-1,5,7,11-tetraoxaspiro[5.5]undecane is sourced from PubChem (CID 150161770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).