(6R)-5,7,9-trioxadispiro[5.1.58.26]pentadec-14-ene

C12H18O3 — CID 11469882

IUPAC(6R)-5,7,9-trioxadispiro[5.1.58.26]pentadec-14-ene
SMILESC1=C[C@@]2(CCCCO2)OC12CCCCO2
InChIInChI=1S/C12H18O3/c1-3-9-13-11(5-1)7-8-12(15-11)6-2-4-10-14-12/h7-8H,1-6,9-10H2/t11-,12?/m1/s1
InChIKeyPNFPLRRUTHVLQI-JHJMLUEUSA-N
MW210.27 g/mol
LogP2.37
Rot. Bonds

About (6R)-5,7,9-trioxadispiro[5.1.58.26]pentadec-14-ene

(6R)-5,7,9-trioxadispiro[5.1.58.26]pentadec-14-ene (PubChem CID 11469882) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is (6R)-5,7,9-trioxadispiro[5.1.58.26]pentadec-14-ene.

Molecular Properties

Compound Name(6R)-5,7,9-trioxadispiro[5.1.58.26]pentadec-14-ene
PubChem CID11469882
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name(6R)-5,7,9-trioxadispiro[5.1.58.26]pentadec-14-ene
SMILESC1=C[C@@]2(CCCCO2)OC12CCCCO2
InChIInChI=1S/C12H18O3/c1-3-9-13-11(5-1)7-8-12(15-11)6-2-4-10-14-12/h7-8H,1-6,9-10H2/t11-,12?/m1/s1
InChIKeyPNFPLRRUTHVLQI-JHJMLUEUSA-N
XLogP2.37
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Related Compounds

1,7-Dioxaspiro[5.5]undec-4-ene
CID 565984
1,7-Dioxaspiro[5.5]undec-3-ene
CID 10103357
1,6-Dioxaspiro[4.5]dec-3-ene
CID 13841628
(6R)-1,7-dioxaspiro[5.5]undec-4-ene
CID 13841635
(2S,6S)-2-methoxy-6-[2-(oxan-2-yl)ethenyl]oxane
CID 134857983
2,8-bis[(E)-prop-1-enyl]-1,7-dioxaspiro[5.5]undecane
CID 134858588
8-methyl-2-[(E)-prop-1-enyl]-1,7-dioxaspiro[5.5]undecane
CID 162415276
(4S,6S,8R,10R)-4,10-bis[(E)-prop-1-enyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecane
CID 162415278
(4R,6R,8R,10R)-4,10-bis[(E)-prop-1-enyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecane
CID 162415279
2-Methyl-1,7-dioxaspiro[5.5]undec-4-ene
CID 14832114
2,2-Dimethyl-1,7-dioxaspiro[5.5]undec-4-ene
CID 14832116
7,9-Dioxadispiro[5.1.58.26]pentadec-14-ene
CID 14983154

Frequently Asked Questions

What is the IUPAC name of (6R)-5,7,9-trioxadispiro[5.1.58.26]pentadec-14-ene?
The IUPAC name of (6R)-5,7,9-trioxadispiro[5.1.58.26]pentadec-14-ene (CID 11469882) is (6R)-5,7,9-trioxadispiro[5.1.58.26]pentadec-14-ene.
What is the SMILES notation for (6R)-5,7,9-trioxadispiro[5.1.58.26]pentadec-14-ene?
The canonical SMILES for (6R)-5,7,9-trioxadispiro[5.1.58.26]pentadec-14-ene is C1=C[C@@]2(CCCCO2)OC12CCCCO2.
What is the InChIKey of (6R)-5,7,9-trioxadispiro[5.1.58.26]pentadec-14-ene?
The InChIKey is PNFPLRRUTHVLQI-JHJMLUEUSA-N. The full InChI is InChI=1S/C12H18O3/c1-3-9-13-11(5-1)7-8-12(15-11)6-2-4-10-14-12/h7-8H,1-6,9-10H2/t11-,12?/m1/s1.
What are the key properties of (6R)-5,7,9-trioxadispiro[5.1.58.26]pentadec-14-ene?
(6R)-5,7,9-trioxadispiro[5.1.58.26]pentadec-14-ene has a molecular weight of 210.27 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-5,7,9-trioxadispiro[5.1.58.26]pentadec-14-ene is sourced from PubChem (CID 11469882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).