17,18-dimethoxy-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-triene

C16H24O7 — CID 5251455

IUPAC17,18-dimethoxy-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-triene
SMILESCOc1cc2c(cc1OC)OCCOCCOCCOCCO2
InChIInChI=1S/C16H24O7/c1-17-13-11-15-16(12-14(13)18-2)23-10-8-21-6-4-19-3-5-20-7-9-22-15/h11-12H,3-10H2,1-2H3
InChIKeyXTTXPODCONKPPT-UHFFFAOYSA-N
MW328.36 g/mol
LogP1.52
Rot. Bonds2

About 17,18-dimethoxy-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-triene

17,18-dimethoxy-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-triene (PubChem CID 5251455) has the molecular formula C16H24O7 and a molecular weight of 328.36 g/mol. Its IUPAC name is 17,18-dimethoxy-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-triene.

Molecular Properties

Compound Name17,18-dimethoxy-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-triene
PubChem CID5251455
Molecular FormulaC16H24O7
Molecular Weight328.36 g/mol
Exact Mass328.15
IUPAC Name17,18-dimethoxy-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-triene
SMILESCOc1cc2c(cc1OC)OCCOCCOCCOCCO2
InChIInChI=1S/C16H24O7/c1-17-13-11-15-16(12-14(13)18-2)23-10-8-21-6-4-19-3-5-20-7-9-22-15/h11-12H,3-10H2,1-2H3
InChIKeyXTTXPODCONKPPT-UHFFFAOYSA-N
XLogP1.52
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 17,18-dimethoxy-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-triene with MolForge

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Related Compounds

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CID 139200232
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CID 57422331
2-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-amine
CID 117319995
dicesium;propan-2-one;(2R,26R,51R,54R)-6,24,30,48-tetramethoxy-2,26,51,54-tetramethyl-9,12,15,18,21,33,36,39,42,45-decaoxaheptacyclo[27.19.3.35,25.03,8.027,32.046,50.022,53]tetrapentaconta-1(48),3,5,7,22,24,27,29,31,46,49,52-dodecaene;dihexafluorophosphate
CID 139200233
1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)piperazine
CID 18918724
6-[2-(3,4-dimethoxyphenyl)ethynyl]-7-[2-(4-methoxyphenyl)ethynyl]-2,3-dihydro-1,4-benzodioxine
CID 170457038
14,30-dimethyl-2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(28),12(17),13,15,29,31-hexaene
CID 90365748
6-[2-[4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]phenyl]ethyl]-2,3-dihydro-1,4-benzodioxine
CID 171715543
5-fluoro-7-methoxy-2,3-dihydro-1,4-benzodioxin-6-ol
CID 135381377
14-(1-methoxyethyl)-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene
CID 101134725
5-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazol-3-amine
CID 117369983

Frequently Asked Questions

What is the IUPAC name of 17,18-dimethoxy-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-triene?
The IUPAC name of 17,18-dimethoxy-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-triene (CID 5251455) is 17,18-dimethoxy-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-triene.
What is the SMILES notation for 17,18-dimethoxy-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-triene?
The canonical SMILES for 17,18-dimethoxy-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-triene is COc1cc2c(cc1OC)OCCOCCOCCOCCO2.
What is the InChIKey of 17,18-dimethoxy-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-triene?
The InChIKey is XTTXPODCONKPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O7/c1-17-13-11-15-16(12-14(13)18-2)23-10-8-21-6-4-19-3-5-20-7-9-22-15/h11-12H,3-10H2,1-2H3.
What are the key properties of 17,18-dimethoxy-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-triene?
17,18-dimethoxy-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-triene has a molecular weight of 328.36 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 17,18-dimethoxy-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-triene is sourced from PubChem (CID 5251455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).