2-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-trien-3-yl)ethanol

C16H24O6 — CID 89438667

IUPAC2-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-trien-3-yl)ethanol
SMILESOCCC1COCCOCCOCCOc2ccccc2O1
InChIInChI=1S/C16H24O6/c17-6-5-14-13-20-10-9-18-7-8-19-11-12-21-15-3-1-2-4-16(15)22-14/h1-4,14,17H,5-13H2
InChIKeyPXDRZEZBRJDKFA-UHFFFAOYSA-N
MW312.36 g/mol
LogP1.26
Rot. Bonds2

About 2-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-trien-3-yl)ethanol

2-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-trien-3-yl)ethanol (PubChem CID 89438667) has the molecular formula C16H24O6 and a molecular weight of 312.36 g/mol. Its IUPAC name is 2-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-trien-3-yl)ethanol.

Molecular Properties

Compound Name2-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-trien-3-yl)ethanol
PubChem CID89438667
Molecular FormulaC16H24O6
Molecular Weight312.36 g/mol
Exact Mass312.16
IUPAC Name2-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-trien-3-yl)ethanol
SMILESOCCC1COCCOCCOCCOc2ccccc2O1
InChIInChI=1S/C16H24O6/c17-6-5-14-13-20-10-9-18-7-8-19-11-12-21-15-3-1-2-4-16(15)22-14/h1-4,14,17H,5-13H2
InChIKeyPXDRZEZBRJDKFA-UHFFFAOYSA-N
XLogP1.26
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-trien-3-yl)ethanol with MolForge

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Related Compounds

(3S)-3-propyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-triene
CID 125479547
2,5,8,11,14,17,20,23,26,29,36,39,42,45,48,51,54,57,60,63-icosaoxatricyclo[62.4.0.030,35]octahexaconta-1(68),30,32,34,64,66-hexaene
CID 18784255
2,3,5,6-tetrahydro-1,4,7-benzotrioxonine
CID 585925
2,5,8,11,14,21,24,27,30,33-decaoxatricyclo[32.4.0.015,20]octatriaconta-1(38),15,17,19,34,36-hexaene;2,5,8,15,18,21,24-heptaoxatricyclo[23.4.0.09,14]nonacosa-1(29),9,11,13,25,27-hexaene;2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12,14,16,28,30-hexaene
CID 161330562
2,5,8,15,18,21,24-heptaoxatricyclo[23.4.0.09,14]nonacosa-1(29),9,11,13,25,27-hexaene
CID 585932
2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene
CID 139075381
3-tert-butyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-triene
CID 22015999
molecular iodine;2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12,14,16,28,30-hexaene
CID 139040495
3-nitro-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(22),18,20-triene
CID 87204278
(3R)-3-(2-chloroethyl)-2,3-dihydro-1,4-benzodioxine
CID 92980685
2-(1,4,7,10-tetraoxacyclododec-2-yl)ethanol
CID 21459614
2,5,9,12-tetraoxabicyclo[11.4.0]heptadeca-1(17),13,15-triene
CID 13401373

Frequently Asked Questions

What is the IUPAC name of 2-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-trien-3-yl)ethanol?
The IUPAC name of 2-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-trien-3-yl)ethanol (CID 89438667) is 2-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-trien-3-yl)ethanol.
What is the SMILES notation for 2-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-trien-3-yl)ethanol?
The canonical SMILES for 2-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-trien-3-yl)ethanol is OCCC1COCCOCCOCCOc2ccccc2O1.
What is the InChIKey of 2-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-trien-3-yl)ethanol?
The InChIKey is PXDRZEZBRJDKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O6/c17-6-5-14-13-20-10-9-18-7-8-19-11-12-21-15-3-1-2-4-16(15)22-14/h1-4,14,17H,5-13H2.
What are the key properties of 2-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-trien-3-yl)ethanol?
2-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-trien-3-yl)ethanol has a molecular weight of 312.36 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-trien-3-yl)ethanol is sourced from PubChem (CID 89438667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).